data_2w9o_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 2w9o _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 4' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.825 0.345 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 m -60.27 146.83 42.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.79 172.07 7.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.13 -163.66 29.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.519 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.22 167.5 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.624 2.216 . . . . 0.0 112.31 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.5 m 60.09 32.35 20.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.56 175.87 9.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -169.0 90.14 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 60.7 60.69 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 60.12 31.46 20.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.01 117.77 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 pp -60.2 151.57 26.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -86.48 160.39 51.0 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.17 143.69 41.08 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.57 2.18 . . . . 0.0 112.317 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.81 127.11 30.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.66 28.23 6.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.8 m -96.16 161.2 14.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.84 142.22 28.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.2 t -102.75 75.5 1.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.1 t90 60.91 80.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 -63.38 130.63 45.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.9 t -176.56 179.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -98.76 30.82 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.06 -33.31 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.5 t -176.73 96.73 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.401 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 3.4 m -71.36 119.83 16.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.401 ' CD2' ' O ' ' A' ' 29' ' ' SER . 43.9 m170 -140.48 -178.44 5.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -145.98 172.23 13.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 75.2 m -94.11 162.8 13.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.2 p -87.52 -68.63 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.67 -28.45 0.84 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 -134.97 36.31 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -161.85 172.38 16.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.5 m -125.98 31.56 5.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -106.22 144.33 33.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.2 t -114.82 86.39 13.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.16 177.39 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.586 2.19 . . . . 0.0 112.32 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -105.69 31.62 4.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 51.2 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.89 0.376 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.39 109.3 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.93 172.06 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.93 -155.61 16.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.91 155.08 66.32 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.529 2.153 . . . . 0.0 112.354 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.9 t 64.69 32.38 11.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.1 p -177.16 122.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -133.48 138.06 45.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 60.31 39.5 18.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 t 61.25 33.15 19.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -136.14 107.79 7.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.24 156.59 15.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -87.9 148.03 42.42 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.77 139.44 58.93 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.598 2.198 . . . . 0.0 112.303 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.91 90.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.51 -27.85 0.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -59.67 165.81 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.876 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 t -107.91 122.19 46.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.4 m -66.31 93.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.4 ' CZ2' HG23 ' A' ' 25' ' ' THR . 27.2 t90 60.61 110.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -105.39 144.28 32.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.4 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 23.6 p -133.03 32.34 3.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.45 35.48 20.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -178.5 -38.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.1 m -84.26 119.3 24.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.76 102.06 4.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -103.28 -32.15 9.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 60.28 104.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 t -60.3 168.94 1.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.6 p -108.5 -31.08 7.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.82 27.75 10.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.562 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -112.21 -33.74 6.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.333 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -158.55 172.77 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 65.2 m -71.8 -31.16 66.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -59.12 134.58 57.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 96.1 m -129.13 88.43 51.26 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -51.7 154.1 10.0 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.542 2.162 . . . . 0.0 112.325 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.39 57.3 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.1 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.807 0.337 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.45 131.03 48.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 54.4 m -150.83 134.77 16.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.61 -170.52 41.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.41 -54.3 5.42 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.592 2.195 . . . . 0.0 112.289 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.4 t -76.48 -53.2 8.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.7 m -55.47 162.47 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.39 -166.71 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.771 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -58.57 88.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 61.25 49.21 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.59 111.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.61 169.52 7.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -90.08 146.3 34.72 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.015 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.1 146.2 49.76 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.569 2.179 . . . . 0.0 112.297 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.13 112.53 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.16 -27.54 5.31 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -59.65 166.6 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.2 p -79.58 161.21 26.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.3 t -103.67 -48.73 3.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.439 ' CZ2' ' CG2' ' A' ' 25' ' ' THR . 6.4 t90 -149.02 142.98 25.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -139.98 108.14 5.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.439 ' CG2' ' CZ2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -105.46 -34.7 7.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -178.14 -39.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -128.99 -43.97 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.149 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 t -76.61 102.72 6.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -92.67 -32.07 14.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.5 m170 60.63 -176.72 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -155.15 124.95 6.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.36 164.07 4.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.9 t -84.24 -38.78 20.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.05 40.92 5.71 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.535 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -174.73 -40.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.79 153.07 48.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 84.2 m -72.46 -23.27 61.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -57.35 120.52 8.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.951 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.59 89.09 14.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -51.49 136.87 48.84 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.561 2.174 . . . . 0.0 112.331 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.1 t -85.32 57.19 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.9 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.819 0.342 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 t -59.99 150.46 28.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.3 p -153.42 143.21 21.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.06 178.76 16.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.85 53.85 4.93 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.695 2.263 . . . . 0.0 112.542 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.93 37.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.974 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.9 p -171.48 142.53 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -60.59 -173.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -56.57 -30.05 62.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -159.66 31.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.92 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -140.81 153.74 45.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.38 138.22 31.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.34 166.84 41.82 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.15 143.02 52.35 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.539 2.159 . . . . 0.0 112.34 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.87 108.23 5.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.28 35.11 1.13 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.511 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.0 t -120.82 173.3 7.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.15 158.42 28.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.1 t -141.29 -47.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.418 ' CZ2' HG23 ' A' ' 25' ' ' THR . 24.4 t90 -159.78 80.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -84.02 136.32 34.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.418 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 26.4 p -153.9 -170.03 3.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.0 p -98.49 29.72 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.79 -40.99 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.3 p -163.74 -170.01 2.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.401 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 22.1 m -136.09 150.71 49.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.401 ' CD2' ' O ' ' A' ' 29' ' ' SER . 39.9 m80 -153.71 167.17 30.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -142.28 161.44 38.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.6 153.77 30.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.5 t -93.97 -35.49 12.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.42 -28.09 14.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -78.35 -32.81 49.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -149.56 162.12 40.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.6 t -72.25 -27.5 62.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -57.1 139.48 52.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.012 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.9 m -120.18 87.74 40.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -52.06 141.96 45.9 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.577 2.184 . . . . 0.0 112.269 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.3 p -85.32 57.3 4.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 57.4 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.808 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.809 0.338 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.23 153.28 22.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.44 172.01 13.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.26 -174.61 22.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -33.3 17.05 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.567 2.178 . . . . 0.0 112.249 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.2 t -98.06 37.48 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.17 134.88 54.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -97.79 85.57 3.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 63.9 -79.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.57 31.33 1.88 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -140.55 159.93 41.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mp -81.36 144.73 31.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -85.47 162.56 47.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.3 136.6 40.78 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.535 2.156 . . . . 0.0 112.318 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.54 112.08 1.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.51 27.13 3.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.582 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.7 m -90.21 163.0 14.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.751 0.31 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.48 95.52 6.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.0 p -91.27 -31.53 16.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -140.91 152.48 45.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -171.56 124.65 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.1 p -108.05 -77.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -177.58 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -87.26 -32.57 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 m -134.13 151.16 51.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.8 m -131.13 122.5 26.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 53.2 m170 -102.43 151.91 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -131.22 158.59 40.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.4 148.28 37.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.2 p -82.91 -35.56 26.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.56 -28.38 13.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -83.15 -33.25 26.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.349 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 p -142.6 163.72 32.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 36.1 m -72.13 -28.92 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.21 150.08 31.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -118.24 88.04 31.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -51.82 169.01 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.543 2.162 . . . . 0.0 112.344 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.2 m -98.2 35.91 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.1 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.86 0.362 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.59 107.63 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 p -106.01 150.64 25.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.36 165.42 12.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.556 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.64 -21.4 31.43 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.671 2.247 . . . . 0.0 112.527 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 39.0 m -96.65 32.87 1.95 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.102 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.3 p -177.71 140.73 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.949 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -145.78 165.08 29.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.814 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.1 pm0 44.42 31.06 0.54 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.452 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 64.5 77.64 0.31 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.95 136.42 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.86 126.45 33.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -73.61 160.34 82.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.809 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.73 141.37 49.42 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.578 2.185 . . . . 0.0 112.274 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.42 100.45 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.94 -26.45 0.92 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.61 153.46 16.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.814 0.34 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.56 145.75 24.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.3 p -103.8 -38.19 7.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -106.7 -47.75 3.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.59 105.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.947 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.4 p -158.49 165.02 35.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -86.66 55.92 3.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 p -178.69 -38.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.0 m -103.7 -78.31 0.56 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.4 t 60.02 77.6 0.31 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -84.04 174.74 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -135.22 149.67 49.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.9 m -82.47 136.77 34.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.8 p -64.4 -30.31 71.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.5 -26.98 19.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.41 -30.75 15.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.318 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -138.01 156.16 48.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 67.5 m -72.55 -24.68 61.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.053 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.68 127.2 28.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.12 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.8 t -103.72 94.15 5.91 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.79 151.76 78.26 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.473 2.116 . . . . 0.0 112.333 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -60.64 -30.08 69.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.7 p -60.18 111.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.6 p -128.36 132.38 48.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.82 -156.63 22.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.93 -34.16 14.55 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.579 2.186 . . . . 0.0 112.283 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.68 -51.69 5.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.4 m -59.42 144.17 47.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.78 84.64 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 61.47 68.98 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.7 t 60.04 68.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -170.85 106.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -72.06 128.28 35.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -79.36 154.21 76.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.31 141.65 49.29 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.596 2.197 . . . . 0.0 112.303 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.69 110.74 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.25 34.77 1.17 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.4 m -98.25 149.84 22.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.2 p -70.96 118.21 13.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.44 -33.19 21.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.417 ' CZ2' HG23 ' A' ' 25' ' ' THR . 4.8 t90 -137.48 100.19 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.23 74.11 7.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.417 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.6 OUTLIER -111.62 -14.8 13.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.21 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.04 31.2 0.85 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.925 0.393 . . . . 0.0 110.656 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m -113.22 -31.06 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.171 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.1 p -164.37 -169.87 1.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.9 m -132.47 126.8 33.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -116.16 -39.36 3.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 61.58 153.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.67 139.66 37.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.1 p -60.77 -47.47 86.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.11 -37.71 3.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -33.08 64.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -136.05 166.67 22.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.07 -30.77 65.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -62.96 133.43 54.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.47 145.84 30.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.73 177.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.552 2.168 . . . . 0.0 112.298 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 t -146.06 31.59 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.5 t80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.9 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.847 0.356 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.6 p -69.3 109.91 4.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.6 p -131.86 134.29 45.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.19 -177.31 34.11 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.15 -39.13 71.77 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.568 2.179 . . . . 0.0 112.311 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.9 t -98.89 31.81 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 72.1 m -151.19 127.78 10.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.01 151.44 42.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 60.6 35.83 19.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 60.75 36.12 19.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -150.51 163.91 37.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.55 148.0 26.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -78.78 154.07 78.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.86 143.39 50.2 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.556 2.171 . . . . 0.0 112.254 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.73 92.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.7 -28.52 0.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.55 161.24 7.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.347 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.25 124.71 50.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.36 -32.83 64.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -158.33 116.65 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -158.02 118.48 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.0 t -176.65 74.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.6 m 59.54 30.56 20.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 p -134.91 -44.84 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 t -167.58 -171.79 1.74 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -143.88 84.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 59.5 m170 -81.66 -178.01 6.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -159.72 151.58 20.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.1 m -98.81 153.74 18.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.1 p -103.4 -31.43 10.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.73 28.38 16.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.446 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.6 -32.99 6.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.56 172.29 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 72.7 m -72.26 -31.64 65.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -66.79 111.1 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.51 149.2 64.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.15 151.17 66.7 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.576 2.184 . . . . 0.0 112.296 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 p -105.36 33.75 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.784 0.326 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.5 82.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 m -108.85 153.07 24.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.57 -151.32 22.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.538 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.59 -37.76 6.8 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.56 2.173 . . . . 0.0 112.367 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.7 t -100.58 31.01 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.8 m -145.84 176.67 9.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.4 mtt-85 -157.33 131.21 8.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 62.63 -80.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -154.31 31.51 0.43 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -148.44 152.08 36.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.25 154.5 19.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -78.66 160.27 72.49 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.21 143.89 40.75 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.582 2.188 . . . . 0.0 112.309 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.29 117.49 4.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.14 28.3 3.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.0 m -91.27 164.7 13.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.822 0.344 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.22 151.57 35.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 m -126.61 78.83 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.9 t90 60.68 106.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.21 139.97 53.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.4 30.89 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.64 27.76 16.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.002 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -120.79 -39.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t -141.08 -171.45 3.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.12 154.25 49.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.419 ' CE1' ' HB3' ' A' ' 39' ' ' CYS . 4.5 t-160 -170.48 144.36 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -136.35 144.67 44.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 88.7 m -63.46 169.35 3.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -93.16 -44.64 8.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.09 38.57 1.81 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -159.75 -44.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 p -128.99 164.96 22.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.06 -29.87 64.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -64.51 103.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.419 ' HB3' ' CE1' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -60.29 147.18 82.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.47 168.96 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.55 2.166 . . . . 0.0 112.293 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.5 m -102.53 -31.56 10.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 35.6 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.783 0.325 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.2 p -95.69 143.39 26.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.1 p -130.39 129.92 43.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.788 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.99 -153.83 8.11 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.619 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -74.79 -38.89 1.51 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.65 2.233 . . . . 0.0 112.639 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.8 t -81.81 -74.1 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.035 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.3 p -53.63 148.98 8.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.125 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -168.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.08 -31.28 68.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -160.22 35.62 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.31 114.02 7.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.4 tp -60.57 137.27 58.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -79.69 161.92 64.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.61 133.69 32.85 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.557 2.171 . . . . 0.0 112.306 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.83 110.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.065 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.57 36.12 2.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.4 t -125.23 164.38 20.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.815 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.9 142.23 54.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.13 -38.95 7.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.444 ' CH2' ' CG2' ' A' ' 25' ' ' THR . 37.0 t90 -176.14 66.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.6 ptt-85 -60.02 125.5 23.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.444 ' CG2' ' CH2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -110.63 -33.5 6.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 m -178.72 -38.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -150.98 -44.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.192 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.5 t -59.5 126.02 25.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.1 m -130.21 140.08 50.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 45.5 m170 -110.06 -31.25 7.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 63.68 136.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.06 142.38 39.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.1 p -78.8 -41.9 29.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.33 -26.95 20.19 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.528 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.31 -30.31 15.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.9 t -148.19 161.2 41.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.02 -27.27 62.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.054 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.76 98.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.974 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 89.9 m -76.86 149.15 80.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.32 177.4 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.556 2.171 . . . . 0.0 112.296 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -134.15 34.28 3.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.0 t80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.857 0.36 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 p -60.31 159.7 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.74 141.17 26.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.37 -162.84 33.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.82 -36.44 10.64 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.614 2.21 . . . . 0.0 112.312 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.1 t -97.97 37.01 1.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.82 127.61 55.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -99.42 94.96 6.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.89 -79.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.51 37.48 0.83 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.72 136.29 24.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 tt -68.75 121.82 17.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -60.16 148.49 78.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.5 136.3 56.49 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.546 2.164 . . . . 0.0 112.313 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.93 103.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.65 -26.16 2.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.568 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -58.68 147.9 31.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.2 p -60.39 154.73 19.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.43 -51.17 2.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -163.25 78.0 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -110.46 121.24 44.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.86 -36.24 9.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -178.51 -39.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -118.33 -37.61 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.197 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.4 p -60.01 163.56 4.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 m -164.22 124.32 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -126.07 -46.3 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 60.74 157.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.96 172.24 13.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -112.03 -37.38 5.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.49 -30.36 8.89 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.561 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 mtm-85 -72.15 -31.96 66.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.7 t -159.24 169.75 23.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.5 m -72.1 -30.73 65.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.17 134.82 54.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.6 147.88 38.85 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.46 172.2 0.17 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.581 2.187 . . . . 0.0 112.293 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -101.73 -31.11 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.9 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.788 0.328 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 t -88.31 141.96 28.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.69 157.41 43.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.64 -168.57 24.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.93 -38.67 1.15 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.647 2.232 . . . . 0.0 112.59 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.94 55.51 3.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.094 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.9 p 179.97 142.32 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -114.35 144.75 42.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 62.57 -80.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.47 37.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -145.77 143.02 29.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 pp -60.14 158.01 12.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -87.09 162.42 43.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.76 144.64 54.69 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.611 2.207 . . . . 0.0 112.307 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.86 108.35 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.61 -27.34 2.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -59.6 157.03 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.416 ' CG2' ' CE1' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -103.26 134.45 46.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 87.0 m -60.3 -73.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.413 ' CE2' HG22 ' A' ' 25' ' ' THR . 13.7 t90 -122.22 118.07 27.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -102.4 113.06 26.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.413 HG22 ' CE2' ' A' ' 23' ' ' TRP . 1.0 OUTLIER -133.32 32.08 3.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.0 m 60.73 32.11 20.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.61 -38.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.2 m -88.11 149.73 23.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 20.9 p -176.56 110.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -99.94 -32.03 11.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.416 ' CE1' ' CG2' ' A' ' 21' ' ' THR . 24.6 m-85 61.32 154.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -118.27 148.91 41.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 t -77.71 -30.93 52.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.26 27.17 7.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.554 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.69 -33.44 6.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.34 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 96.6 p -155.06 172.22 18.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.3 t -75.45 -29.62 59.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -58.56 109.53 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.6 m -60.61 149.77 77.47 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.31 177.44 5.96 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.589 2.193 . . . . 0.0 112.289 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.4 m -125.85 35.55 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.24 132.74 54.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.44 163.72 12.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.09 162.57 9.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.23 -35.29 62.85 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.577 2.184 . . . . 0.0 112.311 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.3 t -70.49 -39.52 74.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m -76.81 129.63 36.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.71 115.32 30.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 63.93 -79.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.9 t -156.19 68.92 0.62 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -170.53 150.64 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tt -89.98 118.73 29.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 149.16 85.91 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.35 143.58 43.19 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.569 2.179 . . . . 0.0 112.282 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.79 121.89 12.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.07 28.28 4.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.8 m -104.94 143.85 32.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.08 131.96 45.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.77 -52.36 65.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -157.03 79.63 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -65.0 125.13 23.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.3 p -160.61 -78.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.2 p -177.99 -39.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -79.77 -32.69 14.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 t -113.55 175.54 5.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.75 36.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -69.2 -178.03 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -145.99 147.98 32.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.94 171.51 14.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 p -106.98 -67.35 0.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 143.08 -36.56 1.58 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.524 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.96 -31.31 14.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.7 m -128.29 172.59 10.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 m -122.45 29.38 6.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -98.33 103.46 15.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.37 110.0 2.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.44 172.8 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.464 2.109 . . . . 0.0 112.291 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.3 t -111.59 31.68 5.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.837 0.351 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.9 p -60.79 108.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.4 t -153.55 138.6 17.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.49 -150.42 22.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.556 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.18 -59.92 0.93 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.596 2.198 . . . . 0.0 112.318 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 t -98.42 35.69 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 99.1 m -150.72 123.08 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -105.16 111.85 24.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 63.72 -80.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.2 m -147.72 36.38 0.87 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -137.64 136.42 37.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 tt -97.63 123.84 41.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -61.29 149.64 82.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.33 143.26 44.21 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.56 2.173 . . . . 0.0 112.288 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.7 108.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.45 -29.39 2.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.7 m -60.4 140.48 57.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.406 HG21 ' CD2' ' A' ' 31' ' ' TYR . 18.7 p -75.27 104.24 5.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.1 p -74.29 -31.56 62.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.4 t90 -134.33 121.37 21.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -148.97 170.06 19.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -169.99 -42.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -172.25 -77.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.4 -31.23 4.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.6 p -90.89 118.86 30.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.38 113.85 9.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -106.38 121.51 44.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.406 ' CD2' HG21 ' A' ' 21' ' ' THR . 38.8 m-85 -86.91 172.11 10.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.21 172.31 10.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -103.24 -41.17 6.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.75 32.76 4.96 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.503 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -156.81 -45.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.0 m -129.71 167.82 17.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.1 m -72.28 -31.25 65.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -65.26 115.43 5.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.1 m -82.85 149.7 60.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.84 172.76 12.13 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.591 2.194 . . . . 0.0 112.351 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.9 t -107.05 33.11 4.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.84 0.352 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.2 p -60.39 91.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.4 t -142.01 131.16 23.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.17 -150.07 9.2 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.87 -54.01 6.03 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.621 2.214 . . . . 0.0 112.323 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.5 m -81.05 -56.47 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.1 m -59.87 144.03 49.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -125.03 -74.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -91.32 55.97 2.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m 59.45 31.14 20.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -128.24 158.4 38.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.67 114.79 29.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -59.95 162.98 8.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -68.52 145.25 63.89 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.574 2.183 . . . . 0.0 112.278 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.04 101.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.21 -28.31 0.99 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.3 172.31 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.18 134.13 47.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.7 p -86.76 -39.38 16.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -141.42 112.1 7.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -108.32 113.59 26.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.21 -177.28 5.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.1 t -98.73 30.32 3.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.97 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 m -127.06 -43.23 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -155.79 -176.21 5.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -149.79 150.98 32.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 31' ' ' TYR . 6.3 m-70 -142.26 174.2 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 30' ' ' HIS . 23.9 m-85 -151.03 127.51 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 m -65.27 172.28 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.7 p -105.5 -31.26 9.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.08 -27.99 10.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -31.53 53.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m -136.74 168.64 19.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 80.9 m -72.25 -31.64 65.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -65.53 164.45 14.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.0 p -130.1 54.31 14.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.29 106.35 1.74 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.563 2.175 . . . . 0.0 112.293 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.91 31.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.4 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 5.1 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.3 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.835 0.35 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.2 p -82.7 110.22 17.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.4 p -130.93 149.01 52.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.64 -150.96 23.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.17 -35.76 10.88 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.607 2.205 . . . . 0.0 112.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 t -98.8 31.06 3.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 39.5 m -141.95 149.05 39.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.2 mtm-85 -92.22 -83.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -111.75 -27.75 8.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.792 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.7 t 179.94 38.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 pttm -144.31 172.66 12.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.99 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.92 126.38 52.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -60.41 148.71 79.46 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.51 143.1 46.58 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.601 2.2 . . . . 0.0 112.261 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.78 139.08 57.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.85 -26.99 21.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.6 m -59.19 130.79 48.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 p -60.2 159.47 9.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.24 -66.91 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.448 ' CZ2' ' CG2' ' A' ' 25' ' ' THR . 9.6 t90 -132.63 145.49 51.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -128.5 126.51 40.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.448 ' CG2' ' CZ2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -163.69 31.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m 59.66 64.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -178.7 -38.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.1 t -162.0 132.56 4.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.84 -33.16 7.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.5 m80 59.96 -176.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -156.92 120.04 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.39 136.78 58.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -66.89 -30.85 71.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.82 27.76 25.66 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.556 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -135.48 -45.91 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 m -128.66 158.49 38.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -72.39 -26.04 61.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.022 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -57.32 135.23 56.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.023 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.9 90.43 15.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.59 170.93 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.541 2.161 . . . . 0.0 112.39 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.3 m -114.75 70.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.82 0.343 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.17 117.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.4 m -148.02 154.43 40.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.46 -175.09 43.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.538 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.25 -45.3 40.27 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.615 2.21 . . . . 0.0 112.316 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 t -97.36 39.44 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.0 m -144.56 118.26 9.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -77.71 102.79 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 63.94 -79.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -141.83 31.64 1.62 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.09 156.53 42.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.43 126.15 46.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.96 156.29 48.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.6 143.88 53.08 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.523 2.149 . . . . 0.0 112.314 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.51 110.81 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.066 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.09 -28.52 2.92 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.62 172.27 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 p -86.93 174.57 8.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.7 t -129.91 -46.07 1.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -131.86 92.83 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.7 111.75 22.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.8 p -153.31 -169.8 3.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -108.77 67.1 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.42 -38.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.03 151.48 31.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -133.57 116.27 15.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -97.18 175.12 6.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -134.56 160.37 38.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.45 142.91 32.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.6 t -95.9 -34.75 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.64 28.09 22.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.525 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.1 ttm-85 -109.8 -33.43 6.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -162.65 168.17 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 70.7 m -71.98 -29.63 64.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -62.41 103.81 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.25 147.78 57.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.46 174.35 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.589 2.193 . . . . 0.0 112.309 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.2 t -131.49 31.67 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.4 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.821 0.343 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.49 172.56 6.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.46 138.32 52.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.97 169.86 22.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.545 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.12 -20.93 48.56 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.683 2.255 . . . . 0.0 112.612 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.87 41.26 1.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.21 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.8 p -179.44 124.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -105.84 107.82 19.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.8 59.65 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 65.4 m 59.78 34.02 21.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.84 84.68 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 pp -63.61 131.18 47.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.8 163.8 6.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.05 145.76 68.51 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.569 2.179 . . . . 0.0 112.282 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.19 132.72 53.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.165 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.04 -28.26 9.99 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.527 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.0 m -62.91 122.96 17.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 t -60.6 117.59 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 80.0 m -60.26 -31.49 70.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -168.58 99.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -91.62 167.64 12.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 p -162.78 -77.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.41 -39.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.947 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 p -106.13 -31.23 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.4 p -108.13 154.39 21.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 t -159.43 132.35 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -143.22 130.73 21.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -110.73 148.63 31.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.52 172.22 8.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 t -100.08 -31.26 11.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.99 27.72 13.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -135.78 -46.22 0.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.968 0.413 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -136.17 166.32 23.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.826 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.1 m -72.35 -28.13 62.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -56.88 96.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.968 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.6 t -106.15 88.14 2.94 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.96 177.01 5.43 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.537 2.158 . . . . 0.0 112.343 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 p -97.05 61.99 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.919 0.39 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.25 113.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.1 p -129.71 151.98 49.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.33 179.92 35.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.84 -26.14 19.33 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.639 2.226 . . . . 0.0 112.423 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -94.09 45.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 p -177.47 164.94 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -101.23 -169.43 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.65 89.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.026 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 63.08 58.15 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -176.5 118.74 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.51 137.57 35.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -73.6 162.16 75.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.25 144.74 37.86 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.604 2.203 . . . . 0.0 112.369 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.47 126.03 25.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.9 33.62 5.73 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.522 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.0 m -99.18 115.67 29.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.22 114.21 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.8 p -118.08 -40.65 2.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -116.16 127.54 54.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -177.01 111.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 p -97.43 -36.55 10.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -178.32 -39.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -116.05 -36.32 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.131 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 t -64.03 89.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -97.33 78.21 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.401 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 1.5 m-70 -95.18 179.22 5.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 30' ' ' HIS . 46.9 m-85 -147.82 150.9 35.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.07 146.13 44.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.5 p -60.28 -39.68 87.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.57 -28.39 13.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.8 ttp85 -114.69 -34.82 5.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.767 0.318 . . . . 0.0 110.984 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 m -111.0 172.69 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.001 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.2 m -83.53 -24.59 31.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -56.46 131.48 48.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.051 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.412 ' CB ' ' CD ' ' A' ' 40' ' ' PRO . 1.3 m -72.82 -60.89 1.76 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 39' ' ' CYS . 57.3 Cg_endo -71.13 139.88 36.46 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.508 2.139 . . . . 0.0 112.361 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.1 p -177.37 80.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.865 0.364 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.34 89.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.2 p -107.59 126.48 52.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.51 -176.08 38.04 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.78 -29.5 15.52 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.579 2.186 . . . . 0.0 112.372 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.5 t -98.37 31.04 2.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.8 p -173.38 109.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.37 135.26 52.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 60.26 41.28 16.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.8 t 61.19 35.66 18.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -135.06 100.66 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.32 138.06 56.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.63 142.97 97.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.43 145.84 44.4 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.482 2.121 . . . . 0.0 112.283 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.82 112.6 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.68 -28.17 1.31 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.27 173.58 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.814 0.34 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.92 108.36 19.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -179.92 41.68 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.259 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.412 ' CD2' ' CG2' ' A' ' 33' ' ' THR . 81.9 t90 -177.23 122.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.166 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -126.32 149.49 49.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.754 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.406 HG22 ' CZ2' ' A' ' 23' ' ' TRP . 0.1 OUTLIER -145.89 -78.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.949 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.75 -42.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.0 m -71.79 -30.79 39.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.043 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.62 155.33 39.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.787 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -60.01 -79.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.408 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 70.8 t60 -158.43 72.95 0.63 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.627 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -122.54 129.95 52.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.06 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.11 129.41 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.412 ' CG2' ' CD2' ' A' ' 23' ' ' TRP . 15.8 p -63.15 -29.47 70.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.42 26.42 54.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.526 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -123.33 -41.29 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.372 . . . . 0.0 111.051 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 p -120.96 151.95 39.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.9 m -73.34 -21.47 60.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.72 133.68 47.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.844 0.354 . . . . 0.0 111.03 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.3 t -131.64 92.02 32.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -48.75 131.49 24.6 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.548 2.165 . . . . 0.0 112.36 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -31.85 68.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.066 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.801 0.334 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -101.06 158.36 16.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.17 136.41 22.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.56 -162.0 34.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.07 -30.36 20.97 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.616 2.21 . . . . 0.0 112.293 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.12 36.28 1.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.34 162.95 14.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -170.41 106.41 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? 60.39 46.68 9.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 61.34 31.45 19.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.03 168.47 19.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.83 140.67 29.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -67.49 165.87 26.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.21 144.56 75.4 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.599 2.199 . . . . 0.0 112.275 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.75 113.5 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.061 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.4 24.86 4.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.615 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 m -94.5 164.43 12.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.59 106.08 18.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.35 -68.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.443 ' CE3' ' CG2' ' A' ' 25' ' ' THR . 0.3 OUTLIER -110.89 179.14 4.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -148.76 108.83 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.443 ' CG2' ' CE3' ' A' ' 23' ' ' TRP . 28.4 p -131.66 -171.3 2.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.4 p -99.16 30.78 3.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 p -177.78 38.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.041 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -177.31 146.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.1 p -111.0 -33.81 6.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 59.64 95.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -106.35 109.21 21.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.34 161.19 7.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 p -95.96 -41.73 8.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.0 28.11 7.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -110.62 -33.09 6.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t -148.19 172.04 14.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.1 m -72.65 -31.36 65.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -74.8 145.26 43.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.5 m -100.47 152.93 37.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.32 177.52 5.88 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.539 2.159 . . . . 0.0 112.282 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.4 p -121.55 34.92 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.3 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.817 0.342 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.75 154.03 22.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -136.23 135.77 39.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.69 178.04 33.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.479 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -78.92 56.11 5.86 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.687 2.258 . . . . 0.0 112.537 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -171.93 33.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.068 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -176.95 -175.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -108.41 -167.85 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -59.06 -30.84 68.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.3 m -160.26 40.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -158.22 120.2 3.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.7 137.2 37.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -67.01 148.17 98.94 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.91 142.55 52.25 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.516 2.144 . . . . 0.0 112.294 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.33 101.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.84 -27.31 0.93 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.543 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.6 159.28 8.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.45 ' CG2' ' CE2' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -110.39 134.15 52.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.5 p -99.09 -40.91 7.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -133.13 114.85 14.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.52 99.33 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.7 p -74.84 -34.12 62.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.01 -39.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -123.38 -41.37 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.175 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 m -60.8 157.09 15.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.409 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 10.0 p -176.6 103.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -70.61 -38.87 74.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.45 ' CE2' ' CG2' ' A' ' 21' ' ' THR . 32.1 m-85 60.76 157.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -117.62 126.84 53.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 p -64.51 -29.73 70.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.12 25.99 6.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -114.19 -35.87 4.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.4 t -147.55 162.92 38.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.91 -28.47 63.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.961 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.52 128.15 34.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.37 149.21 36.94 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.37 129.73 17.43 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.554 2.17 . . . . 0.0 112.328 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -67.81 -31.61 71.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.847 0.356 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -173.13 100.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.3 p -128.11 121.39 29.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.61 -173.56 37.17 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.546 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.95 -27.28 17.68 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.6 2.2 . . . . 0.0 112.416 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.2 t -98.33 32.59 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.3 p -177.0 138.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -149.32 140.51 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 60.84 42.21 13.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.4 t 61.28 37.49 17.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -148.49 124.48 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -67.75 148.2 51.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -69.43 159.57 82.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.59 144.33 54.57 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.583 2.189 . . . . 0.0 112.286 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.04 98.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 150.2 -28.25 1.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.12 172.31 1.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.413 HG21 ' CD1' ' A' ' 31' ' ' TYR . 2.0 p -101.14 148.18 25.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.7 t -90.34 -70.59 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.41 ' CE2' HG22 ' A' ' 25' ' ' THR . 1.8 t90 -93.22 91.81 7.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.7 tpp85 -81.9 77.48 8.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.41 HG22 ' CE2' ' A' ' 23' ' ' TRP . 0.6 OUTLIER -105.3 -16.52 14.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.18 179.957 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 t 75.06 31.87 0.81 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.895 0.379 . . . . 0.0 110.623 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 m -113.32 -32.85 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.49 -169.97 3.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.1 m -119.07 102.29 8.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -119.96 164.12 16.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.413 ' CD1' HG21 ' A' ' 21' ' ' THR . 72.0 m-85 -157.13 159.62 37.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -97.14 152.28 18.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.0 p -76.75 -47.93 20.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.68 25.17 4.68 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.584 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.7 mtm-85 -113.31 -34.85 5.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 t -155.12 172.36 18.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.5 t -72.07 -31.17 65.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.44 84.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.8 p -59.98 149.57 73.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.21 174.97 9.11 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.572 2.181 . . . . 0.0 112.313 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -117.39 31.83 6.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.978 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.818 0.342 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.3 p -60.45 117.36 5.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 t -132.03 149.55 52.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.7 -149.18 14.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.534 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.2 -46.67 0.97 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.626 2.217 . . . . 0.0 112.42 -179.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.2 t -87.03 5.84 35.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.465 -179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.9 m -125.7 165.46 18.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.816 0.341 . . . . 0.0 110.795 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 -87.64 -79.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.774 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -152.82 21.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 179.834 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.0 t 178.51 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -120.14 151.38 39.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.967 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 tt -85.27 155.98 21.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -72.75 162.8 72.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.01 143.26 41.17 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.488 2.125 . . . . 0.0 112.323 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.41 128.33 33.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.217 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.89 -25.18 7.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -58.36 154.84 12.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.349 . . . . 0.0 110.948 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -89.7 123.06 33.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.46 -43.65 96.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.412 ' CZ2' HG23 ' A' ' 25' ' ' THR . 26.2 t90 -158.71 79.86 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -60.69 136.06 57.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.412 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 54.4 p -156.2 -174.15 4.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.2 m -107.98 66.82 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 p -177.98 -38.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 t -165.53 167.04 17.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.26 150.18 48.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -106.53 -32.17 8.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.978 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 60.47 172.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 91.5 m -125.32 161.12 27.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -116.39 -39.11 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.69 32.11 5.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.5 mtt85 -123.71 -43.25 2.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.15 157.02 42.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.821 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.26 -25.88 62.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.24 86.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.807 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.8 m -58.8 147.8 70.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.26 177.26 6.81 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.57 2.18 . . . . 0.0 112.354 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p -134.68 31.63 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.991 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.819 0.343 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.23 85.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.1 p -121.76 134.11 54.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.76 -168.84 40.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.616 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -57.38 -26.35 70.44 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.723 2.282 . . . . 0.0 112.531 -179.823 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.47 -49.81 5.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.917 0.389 . . . . 0.0 110.925 -179.885 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.9 m -66.94 154.39 41.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.804 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.5 -80.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -112.6 -28.26 7.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.671 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.9 t 179.4 37.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.838 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -137.17 132.28 33.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.3 117.87 22.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -58.33 155.22 28.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.41 145.06 63.88 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.572 2.181 . . . . 0.0 112.332 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.15 140.34 53.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.157 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.87 -28.32 16.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.0 m -63.63 150.86 43.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.8 p -80.4 111.13 16.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.4 t -60.29 -31.67 70.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -167.89 83.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -107.63 112.56 25.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.7 p -98.23 -36.25 10.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -178.49 -39.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.53 -41.11 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.184 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.3 t -75.29 76.41 2.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.27 97.64 11.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -84.68 -178.34 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -143.27 126.37 16.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.55 150.23 48.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 p -76.24 -62.3 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.43 -27.66 7.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.35 -31.49 10.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.344 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.2 p -126.91 172.46 10.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.8 t -106.51 18.91 21.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -87.52 130.87 34.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -129.47 87.85 51.96 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.16 177.66 4.95 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.585 2.19 . . . . 0.0 112.304 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.61 45.35 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.996 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.8 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.84 0.352 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.91 75.83 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.06 148.99 22.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.02 159.02 16.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.527 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.96 -26.42 40.26 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.668 2.246 . . . . 0.0 112.381 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.4 t -72.37 -59.59 2.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.3 m -59.18 152.91 19.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -98.11 -70.48 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -122.8 71.58 1.04 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.8 t 59.82 31.3 20.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -133.07 129.7 38.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 mt -69.86 130.07 41.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -72.79 149.44 90.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.51 137.65 57.57 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.583 2.189 . . . . 0.0 112.331 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.05 90.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.084 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.95 -28.24 1.27 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.3 m -60.23 163.43 4.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.414 HG23 ' CD2' ' A' ' 31' ' ' TYR . 5.6 p -101.43 137.48 39.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.7 p -109.51 -40.43 4.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -97.33 128.31 44.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 ttt85 -135.13 116.46 14.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -168.19 -179.14 3.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.5 t -98.83 31.36 2.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -111.19 -32.94 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 t -176.72 -170.13 0.31 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 t -137.36 127.07 25.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -130.69 173.69 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.414 ' CD2' HG23 ' A' ' 21' ' ' THR . 80.7 m-85 -146.67 138.73 24.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.11 130.67 43.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.2 p -60.33 -37.3 80.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.57 -28.56 12.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -72.44 -31.64 65.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.838 0.351 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -136.98 166.13 24.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.2 t -72.03 -30.53 65.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.7 162.6 6.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -128.32 88.31 52.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -69.07 163.92 35.87 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.558 2.172 . . . . 0.0 112.314 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.9 p -94.63 45.81 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.98 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.0 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.8 0.333 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.4 p -90.45 130.87 36.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.0 p -132.28 158.93 40.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.27 -178.61 40.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.05 -29.45 22.44 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.606 2.204 . . . . 0.0 112.32 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.2 t -74.57 -59.68 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.0 p -77.07 167.15 22.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.89 124.75 28.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 63.84 -79.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -160.33 76.34 0.6 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -170.2 100.04 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.57 120.3 10.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -66.86 151.42 96.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.24 142.57 45.74 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.58 2.187 . . . . 0.0 112.319 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.11 118.24 6.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.22 28.42 5.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.567 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.9 m -108.55 142.64 38.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 p -69.98 121.7 17.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.2 p -103.91 -43.38 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -106.47 122.14 45.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -156.26 90.36 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.4 t -86.27 -36.49 19.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.3 p -177.08 -40.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 p -119.52 -38.79 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.2 m -62.68 157.46 20.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.2 m -170.7 78.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -92.3 138.55 31.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -78.97 172.24 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -95.31 143.28 26.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 p -60.3 -41.09 92.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.03 -29.17 11.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -94.77 -32.94 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.7 t -133.82 168.76 18.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.9 m -72.21 -31.64 66.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -64.46 146.15 54.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 m -106.24 149.65 38.45 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.27 146.49 57.21 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.586 2.191 . . . . 0.0 112.338 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.2 t -88.05 -31.41 19.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.6 p90 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.96 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.843 0.354 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.96 109.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.1 p -131.77 128.57 39.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.793 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.48 -159.95 22.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.618 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -55.99 -62.63 0.23 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.703 2.269 . . . . 0.0 112.472 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.56 -80.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.8 p -50.68 127.02 17.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.49 -75.22 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.876 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -91.29 50.29 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.3 m 59.38 31.18 20.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -127.41 106.24 9.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 tp -59.93 118.61 6.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 149.39 97.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.26 144.4 39.24 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.53 2.154 . . . . 0.0 112.357 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.81 98.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.94 -27.79 0.4 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.9 156.41 14.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.57 154.33 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.46 -66.41 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -128.15 78.63 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -105.2 80.35 1.59 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 t -74.93 -35.54 62.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 p -178.45 -39.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 p -125.05 -41.89 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.217 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -60.23 166.24 3.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 60.7 p -176.5 94.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -84.53 -31.76 24.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 29' ' ' SER . 52.3 m-85 60.62 171.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 m -129.75 127.86 41.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.5 t -71.51 -30.43 65.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.41 27.65 7.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -111.71 -33.86 6.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.0 t -160.51 162.26 32.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -72.05 -26.82 62.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.47 114.58 2.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.965 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.66 87.28 2.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.6 167.33 24.55 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.583 2.188 . . . . 0.0 112.317 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 t -85.69 57.14 4.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.853 0.358 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.41 107.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.87 150.07 30.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.76 -150.68 22.97 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.517 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.23 -45.39 0.88 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.646 2.231 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.03 39.44 1.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 91.9 m -128.16 178.8 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -150.31 -167.54 2.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -62.23 83.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 t 59.92 36.63 21.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.88 116.64 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.11 148.96 48.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -67.76 155.4 91.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.44 144.45 55.8 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.542 2.162 . . . . 0.0 112.296 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.82 134.92 57.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.59 -28.38 11.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.56 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.4 m -62.15 126.33 26.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -62.57 135.02 57.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.4 m -65.27 -53.84 38.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -102.7 -36.91 8.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.41 72.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.34 -173.85 2.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.3 t -64.05 -31.3 72.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.5 p -160.12 50.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 m -146.88 36.17 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.837 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.3 m -71.22 118.91 14.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -98.33 -31.28 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 63.05 121.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.07 158.22 11.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.8 t -81.29 -41.3 22.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.59 40.38 3.42 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.539 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -171.51 -41.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.965 0.412 . . . . 0.0 110.974 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.1 t -133.69 165.18 25.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -29.97 64.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.38 95.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.9 m -60.05 150.19 71.22 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.36 176.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.596 2.197 . . . . 0.0 112.295 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 m -109.54 -28.67 8.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.935 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.2 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.857 0.361 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 60.41 106.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m -124.84 148.82 48.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.65 -157.63 27.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.9 -31.86 19.09 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.52 2.147 . . . . 0.0 112.325 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.92 31.05 3.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.7 m -136.46 115.98 12.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -97.53 82.67 3.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 60.87 70.96 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 59.95 35.66 21.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -147.02 101.82 3.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.59 143.85 56.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.35 151.25 74.9 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.03 143.54 40.34 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.594 2.196 . . . . 0.0 112.348 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 126.2 26.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.92 28.53 9.96 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.8 m -105.4 144.22 32.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.41 120.39 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.0 m -69.81 -52.07 28.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -130.74 97.88 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -88.02 130.28 35.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.2 p -149.95 -78.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.0 t -177.63 -39.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -87.18 -31.41 5.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.09 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.0 m -137.41 176.57 8.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.41 -44.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.0 m170 60.4 -177.41 0.1 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -146.75 120.39 9.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.81 169.29 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 t -99.94 -36.34 9.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.78 -29.07 11.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.449 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.7 mmm-85 -73.36 -32.88 64.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.2 p -144.55 166.76 24.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.11 -30.43 65.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.28 117.92 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.3 t -85.92 136.87 35.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -52.08 141.03 48.98 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.437 2.091 . . . . 0.0 112.351 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.57 36.07 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.2 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.802 0.334 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 p -59.77 120.92 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m -128.45 148.92 50.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.86 -169.41 25.63 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.493 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.32 -34.95 72.8 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.59 2.193 . . . . 0.0 112.352 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.16 28.91 3.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.007 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.9 m -147.38 130.97 16.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -108.96 111.27 22.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.797 179.935 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 64.15 -79.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.4 t -147.16 36.9 0.93 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -143.72 141.16 30.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.1 138.35 31.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -60.32 155.07 49.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.39 144.39 55.82 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.545 2.163 . . . . 0.0 112.331 179.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.71 137.38 57.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.0 -28.22 14.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.2 m -60.06 133.14 55.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.954 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.6 p -78.68 133.37 37.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.17 -31.64 72.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -168.45 127.76 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.4 ttt-85 -134.57 100.55 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.05 -33.12 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -176.44 -77.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.59 -32.34 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.119 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.27 79.63 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.7 m -104.89 114.39 28.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -97.08 169.54 9.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -137.87 112.44 8.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.5 t -60.11 131.98 52.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.07 -40.91 91.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.5 -28.04 14.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.8 mtt85 -92.01 -32.1 15.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.5 m -133.36 157.38 45.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.24 -25.66 61.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -57.28 130.47 46.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.047 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -110.97 89.28 9.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -68.89 145.87 63.65 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.56 2.173 . . . . 0.0 112.24 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.28 57.27 4.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.956 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.837 0.351 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.8 162.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -169.79 143.86 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.7 -173.96 38.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.592 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.24 -22.36 22.25 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.628 2.218 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.3 t -95.66 40.08 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.056 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.9 p -177.44 169.12 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.76 160.55 34.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 60.44 30.57 19.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.64 35.43 22.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -145.52 124.53 12.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.39 129.89 44.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -59.89 162.03 10.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.23 145.91 61.71 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.535 2.157 . . . . 0.0 112.307 179.928 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.61 91.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.183 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.1 -29.15 0.25 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.18 172.25 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.851 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.2 t -127.72 114.88 17.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.0 p -59.09 -21.3 58.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.421 ' CD1' HG23 ' A' ' 25' ' ' THR . 1.1 t-105 66.71 91.65 0.08 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.406 ' HG3' ' CD2' ' A' ' 30' ' ' HIS . 4.0 mmt85 -76.84 -29.07 55.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.029 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.421 HG23 ' CD1' ' A' ' 23' ' ' TRP . 9.2 p 55.69 28.02 11.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.059 -179.896 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.7 t -126.95 -49.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.798 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.9 m -136.34 10.31 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.659 179.878 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.65 176.1 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.84 0.352 . . . . 0.0 110.954 179.81 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 26.2 m 58.35 89.89 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.016 179.92 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' 29' ' ' SER . 43.1 m-70 -161.41 104.14 1.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -123.55 172.34 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 29.8 m -117.06 154.39 31.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.6 p -105.93 29.48 6.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 57.68 27.68 59.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.618 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.71 -33.06 11.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.832 0.349 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -176.81 172.64 2.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.5 m -71.67 -29.87 65.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -66.44 102.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 147.78 79.93 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.79 172.13 14.24 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.528 2.152 . . . . 0.0 112.264 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m -100.54 31.5 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.6 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.836 0.35 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.1 94.9 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.853 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.88 141.45 30.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.32 -172.63 41.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.07 -21.83 20.11 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.612 2.208 . . . . 0.0 112.591 -179.907 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -95.54 21.84 7.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.298 -179.899 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.1 m -146.45 171.31 15.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.881 0.372 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -100.29 -78.77 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.699 179.861 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -138.55 6.43 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.621 179.964 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 41.8 t 176.38 -33.11 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.775 0.322 . . . . 0.0 111.116 179.884 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.63 130.2 54.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.718 -179.854 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 pp -79.55 156.54 27.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 -179.886 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -77.64 152.15 80.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -51.79 145.03 32.77 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.611 2.207 . . . . 0.0 112.304 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.49 115.68 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.115 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.42 -27.59 2.97 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.72 150.59 27.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -70.98 137.91 49.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.53 -31.68 14.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -157.77 116.09 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.69 132.35 44.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 t -176.45 161.74 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -88.27 54.52 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -151.92 -45.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.185 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.6 m -152.81 176.67 11.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 p -151.06 112.7 4.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -106.93 106.85 17.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -73.9 152.3 40.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.9 t -79.48 166.64 21.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.4 t -104.12 -44.62 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.14 -28.8 13.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.544 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.0 ptt180 -72.3 -31.53 65.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.08 170.69 21.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -31.03 65.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -59.73 114.49 2.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 m -92.17 166.49 17.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.06 151.44 16.47 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.597 2.198 . . . . 0.0 112.317 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.4 t -87.54 -32.76 19.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 38.1 p90 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.967 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.9 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.829 0.347 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.5 95.9 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.16 148.84 50.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.11 -153.01 24.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.536 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.5 -34.1 9.9 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.569 2.179 . . . . 0.0 112.37 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.3 t -98.38 30.5 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.0 m -134.31 129.38 35.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.15 -70.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -123.09 71.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.96 33.75 21.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.82 172.16 13.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tt -100.6 126.8 47.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -64.15 160.06 51.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 144.11 53.45 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.633 2.222 . . . . 0.0 112.282 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.25 106.54 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.939 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.5 -28.88 2.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.526 -179.949 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.3 m -72.9 144.63 47.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.803 0.335 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.4 p -59.3 157.22 11.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.1 t -85.68 -27.13 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.044 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.413 ' CD1' HG22 ' A' ' 25' ' ' THR . 0.9 OUTLIER -154.42 122.46 5.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.889 179.854 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.5 146.36 54.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.413 HG22 ' CD1' ' A' ' 23' ' ' TRP . 19.8 p -159.61 -44.94 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 p -176.99 -39.22 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 p -153.49 -44.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.21 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.2 t 60.58 165.48 0.07 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -162.33 38.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -112.96 -56.96 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 62.64 147.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -90.9 170.67 9.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.7 p -103.61 -31.24 10.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.02 27.68 6.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.543 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.16 -32.88 6.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.92 172.45 11.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -31.34 66.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -67.56 98.42 0.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.3 p -80.3 149.66 69.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.26 177.25 6.12 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.632 2.221 . . . . 0.0 112.304 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.18 -31.86 9.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.996 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.5 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.56 82.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.2 p -136.28 141.99 43.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.72 -154.97 16.36 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.518 179.954 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.92 -28.36 24.6 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.589 2.192 . . . . 0.0 112.321 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.07 -56.93 3.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.9 m -59.8 147.31 38.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.85 -74.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -120.89 71.54 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.5 t 60.77 31.15 20.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -134.69 139.04 44.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 tp -79.84 131.68 35.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -63.66 149.36 92.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.31 144.07 40.91 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.59 2.193 . . . . 0.0 112.307 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.02 87.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.88 -28.17 1.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.546 -179.95 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.22 172.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.319 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.4 p -100.5 175.22 5.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.3 p -128.14 -45.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -135.03 79.24 1.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 ttp-105 -100.24 112.65 24.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.13 31.18 3.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.0 m 59.98 64.37 1.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 p -178.65 -38.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -133.01 168.88 17.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.0 m -160.79 82.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 65.5 m170 -73.61 -31.37 63.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 61.1 155.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -113.11 125.54 54.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.3 p -71.59 -30.87 66.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.81 27.13 7.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.531 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -111.77 -33.84 6.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.76 170.49 21.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.933 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.25 -31.53 65.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -66.08 119.29 11.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 149.42 67.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.05 177.4 5.82 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.554 2.169 . . . . 0.0 112.302 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.1 m -125.32 35.33 4.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.943 179.984 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.846 0.355 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 60.8 87.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.6 p -86.42 158.8 19.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.9 -172.34 32.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.544 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.26 -14.14 28.38 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.623 2.215 . . . . 0.0 112.654 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -96.83 30.22 2.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.792 0.33 . . . . 0.0 111.057 -179.949 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.2 p -175.81 171.28 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -127.85 -75.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -117.66 73.89 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.0 t 59.82 31.01 20.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -148.61 99.49 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 pp -60.1 147.89 37.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -74.34 158.21 85.59 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -51.97 144.47 36.35 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.573 2.182 . . . . 0.0 112.343 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.78 103.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.14 -27.33 1.41 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.59 130.74 48.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.849 0.356 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.29 161.03 7.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.1 t -106.63 -55.85 2.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.449 ' CD2' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -104.46 -33.79 8.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.961 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.2 ptp85 45.05 40.04 4.29 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.371 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.449 ' CG2' ' CD2' ' A' ' 23' ' ' TRP . 66.4 p -95.22 169.58 9.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.1 m -85.41 57.35 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -178.5 -38.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 m -130.93 108.85 10.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 t -95.85 79.64 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -79.81 146.44 32.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -131.31 150.68 52.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 t -72.67 172.29 10.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.7 p -109.99 -54.44 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.95 55.55 0.34 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -177.38 -39.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.0 p -122.73 172.47 8.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.8 t -123.71 30.09 6.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -111.39 91.92 3.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.69 110.04 2.32 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.37 176.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.431 2.088 . . . . 0.0 112.314 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.4 m -96.34 -31.61 12.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.7 p90 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.948 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.82 0.343 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.16 92.43 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.3 p -137.61 159.22 42.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.49 -154.72 24.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.521 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.02 -34.88 12.89 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.566 2.177 . . . . 0.0 112.348 179.966 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.8 t -108.74 34.78 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -156.23 165.51 36.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -174.94 126.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 60.87 42.17 13.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.0 m 60.52 36.57 19.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -136.98 139.25 41.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.63 136.84 32.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -75.52 152.05 85.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.18 143.49 41.96 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.559 2.173 . . . . 0.0 112.306 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.97 140.99 56.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.74 -28.48 15.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.9 m -60.64 128.83 38.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.9 p -60.24 153.98 21.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 p -131.82 35.15 3.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -164.66 -69.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 59.81 89.81 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.89 -44.38 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -165.09 -43.2 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 p -155.47 -44.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.204 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.5 m -60.34 97.25 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.418 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . 57.8 m -86.23 108.76 18.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -60.7 -31.21 70.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 29' ' ' SER . 23.5 m-85 61.24 154.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.7 t -109.31 151.03 27.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.2 p -62.69 -60.43 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 134.56 -27.38 3.23 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.531 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -124.99 30.75 5.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.758 0.313 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.04 144.42 17.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 74.5 m -72.96 -18.8 61.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.044 179.941 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -102.09 161.81 13.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.874 0.369 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.2 m -116.41 151.57 47.08 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.69 171.66 15.05 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.547 2.165 . . . . 0.0 112.362 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.8 m -98.72 31.39 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.968 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.838 0.351 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.7 p -130.66 116.71 18.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -129.89 136.49 49.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.65 -169.12 36.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.67 -25.44 20.66 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.565 2.177 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.9 29.46 3.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.043 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.1 p -177.2 121.6 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -115.65 134.12 55.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 60.74 40.05 16.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 m 61.24 31.98 19.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.63 115.67 21.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.14 141.83 55.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -86.37 157.97 55.39 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.0 143.36 72.11 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.559 2.173 . . . . 0.0 112.291 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.38 111.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.73 25.25 4.33 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.605 179.998 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.5 m -93.02 163.29 13.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.09 105.44 5.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.5 t -60.02 -66.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -148.12 104.48 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.36 96.68 5.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.2 p -100.69 -37.62 8.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.3 t -178.79 -39.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.75 -36.25 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.178 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 t -62.0 154.18 27.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 p -176.66 79.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -107.25 -176.91 3.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -136.85 149.61 47.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.8 135.43 34.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -74.31 -41.5 61.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.89 26.01 5.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.545 179.928 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.59 -34.5 5.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.1 t -160.58 171.0 19.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -31.16 65.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.37 104.84 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.55 146.3 80.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.74 176.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.516 2.144 . . . . 0.0 112.325 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.66 -31.59 7.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.981 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.863 0.364 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.91 131.7 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.7 p -124.72 146.8 48.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.65 179.71 48.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.51 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.06 63.04 1.96 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.598 2.199 . . . . 0.0 112.32 179.989 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.2 t -166.23 -65.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.0 p -69.85 177.18 3.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.7 mmt-85 -137.84 96.72 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 60.82 69.4 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.7 t 57.87 65.16 1.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.22 80.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 mt -58.02 111.46 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.896 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 mmtm -67.26 148.84 98.69 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.18 143.16 43.19 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.568 2.178 . . . . 0.0 112.352 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.47 98.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.76 -28.28 0.75 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.5 m -60.05 136.31 57.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.326 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 68.8 p -75.58 125.85 29.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.22 -40.19 89.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.415 ' CE2' ' HA ' ' A' ' 25' ' ' THR . 23.5 t-105 60.35 98.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -62.62 -27.72 69.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.91 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.415 ' HA ' ' CE2' ' A' ' 23' ' ' TRP . 0.2 OUTLIER 64.75 39.88 6.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 179.977 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.4 p -144.74 -49.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 179.922 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -178.72 37.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.051 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' ' CZ3' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -177.87 177.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.966 179.955 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.1 t -145.88 126.65 14.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -103.61 -177.32 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -130.07 130.37 44.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.7 149.21 49.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.05 -63.19 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.69 -28.62 2.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -84.15 -33.69 24.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.949 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -144.84 158.67 43.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 81.9 m -72.0 -26.43 62.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -67.37 111.54 4.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.03 153.23 96.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.53 175.33 8.05 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.552 2.168 . . . . 0.0 112.296 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 t -77.88 -32.84 52.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 31.3 p90 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 -179.982 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.1 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.818 0.342 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 t -75.08 163.68 27.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -177.25 154.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.43 -156.49 27.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 -179.931 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.96 -37.08 1.71 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.662 2.241 . . . . 0.0 112.551 -179.829 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.6 t -84.66 56.88 4.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.042 -179.808 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 p 176.24 169.33 0.44 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.867 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -122.5 85.47 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.826 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 60.59 72.43 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.4 t 61.53 69.99 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.81 -179.903 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -177.83 98.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.92 133.97 55.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -73.51 154.38 89.75 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.36 144.05 41.49 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.576 2.184 . . . . 0.0 112.303 179.95 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.84 113.78 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.62 -27.8 3.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -59.89 164.19 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -105.28 151.83 23.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.7 m -90.34 -74.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.409 ' CE3' ' HB2' ' A' ' 28' ' ' SER . 12.1 t90 -102.7 150.35 23.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -155.06 84.83 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 t -97.92 -38.4 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.6 t -179.2 -39.47 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -121.96 -40.18 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.153 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.409 ' HB2' ' CE3' ' A' ' 23' ' ' TRP . 22.4 m -79.29 100.29 7.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.1 p -97.5 -34.39 11.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.405 ' O ' ' CD2' ' A' ' 31' ' ' TYR . 5.1 m170 59.39 162.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 30' ' ' HIS . 45.6 m-85 -150.55 102.93 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.27 172.19 1.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.7 t -109.45 -31.23 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.47 26.84 8.98 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.57 -179.955 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -112.43 -34.27 5.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.82 172.25 18.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.4 m -72.3 -29.73 64.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -59.29 102.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 80.7 m -59.64 148.86 73.62 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.61 177.5 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.527 2.152 . . . . 0.0 112.292 -179.95 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.401 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 5.8 p -124.93 31.49 5.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.401 ' CG ' ' O ' ' A' ' 41' ' ' SER . 6.4 m-85 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.817 0.341 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -106.74 -31.3 8.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 60.84 39.32 17.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -157.22 94.05 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 m -60.27 146.83 42.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.79 172.07 7.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.13 -163.66 29.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.519 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.22 167.5 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.624 2.216 . . . . 0.0 112.31 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.5 m 60.09 32.35 20.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.56 175.87 9.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -169.0 90.14 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 60.7 60.69 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 60.12 31.46 20.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.01 117.77 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 pp -60.2 151.57 26.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -86.48 160.39 51.0 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.17 143.69 41.08 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.57 2.18 . . . . 0.0 112.317 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.81 127.11 30.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.66 28.23 6.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.8 m -96.16 161.2 14.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.84 142.22 28.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.2 t -102.75 75.5 1.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.1 t90 60.91 80.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 -63.38 130.63 45.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.9 t -176.56 179.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -98.76 30.82 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.06 -33.31 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.5 t -176.73 96.73 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.401 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 3.4 m -71.36 119.83 16.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.401 ' CD2' ' O ' ' A' ' 29' ' ' SER . 43.9 m170 -140.48 -178.44 5.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -145.98 172.23 13.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 75.2 m -94.11 162.8 13.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.2 p -87.52 -68.63 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.67 -28.45 0.84 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 -134.97 36.31 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -161.85 172.38 16.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.5 m -125.98 31.56 5.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -106.22 144.33 33.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.2 t -114.82 86.39 13.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.16 177.39 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.586 2.19 . . . . 0.0 112.32 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -105.69 31.62 4.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -92.82 150.46 39.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.95 -27.07 26.0 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.526 2.151 . . . . 0.0 112.373 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -136.2 144.04 15.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -160.91 138.75 9.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.36 -1.244 . . . . 0.0 112.545 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.835 0.35 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 6.7 ttm -149.05 80.1 1.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -94.12 159.53 15.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 51.2 t -177.51 -39.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.39 109.3 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.93 172.06 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.93 -155.61 16.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.91 155.08 66.32 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.529 2.153 . . . . 0.0 112.354 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.9 t 64.69 32.38 11.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.1 p -177.16 122.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -133.48 138.06 45.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 60.31 39.5 18.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 t 61.25 33.15 19.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -136.14 107.79 7.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.24 156.59 15.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -87.9 148.03 42.42 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.77 139.44 58.93 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.598 2.198 . . . . 0.0 112.303 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.91 90.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.51 -27.85 0.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -59.67 165.81 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.876 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 t -107.91 122.19 46.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.4 m -66.31 93.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.4 ' CZ2' HG23 ' A' ' 25' ' ' THR . 27.2 t90 60.61 110.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -105.39 144.28 32.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.4 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 23.6 p -133.03 32.34 3.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.45 35.48 20.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -178.5 -38.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.1 m -84.26 119.3 24.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.76 102.06 4.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -103.28 -32.15 9.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 60.28 104.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 t -60.3 168.94 1.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.6 p -108.5 -31.08 7.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.82 27.75 10.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.562 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -112.21 -33.74 6.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.333 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -158.55 172.77 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 65.2 m -71.8 -31.16 66.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -59.12 134.58 57.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 96.1 m -129.13 88.43 51.26 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -51.7 154.1 10.0 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.542 2.162 . . . . 0.0 112.325 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.39 57.3 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -106.98 79.6 0.7 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.95 -167.92 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.545 2.163 . . . . 0.0 112.335 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.78 -40.48 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -78.4 141.09 38.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.503 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.795 0.331 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.88 -32.53 10.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.33 -44.04 76.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.1 t 60.64 84.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.45 131.03 48.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 54.4 m -150.83 134.77 16.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.61 -170.52 41.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.41 -54.3 5.42 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.592 2.195 . . . . 0.0 112.289 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.4 t -76.48 -53.2 8.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.7 m -55.47 162.47 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.39 -166.71 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.771 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -58.57 88.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 61.25 49.21 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.59 111.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.61 169.52 7.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -90.08 146.3 34.72 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.015 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.1 146.2 49.76 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.569 2.179 . . . . 0.0 112.297 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.13 112.53 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.16 -27.54 5.31 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -59.65 166.6 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.2 p -79.58 161.21 26.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.3 t -103.67 -48.73 3.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.439 ' CZ2' ' CG2' ' A' ' 25' ' ' THR . 6.4 t90 -149.02 142.98 25.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -139.98 108.14 5.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.439 ' CG2' ' CZ2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -105.46 -34.7 7.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -178.14 -39.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -128.99 -43.97 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.149 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 t -76.61 102.72 6.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -92.67 -32.07 14.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.5 m170 60.63 -176.72 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -155.15 124.95 6.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.36 164.07 4.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.9 t -84.24 -38.78 20.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.05 40.92 5.71 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.535 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -174.73 -40.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.79 153.07 48.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 84.2 m -72.46 -23.27 61.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -57.35 120.52 8.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.951 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.59 89.09 14.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -51.49 136.87 48.84 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.561 2.174 . . . . 0.0 112.331 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.1 t -85.32 57.19 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -160.22 78.97 2.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.29 -169.78 0.38 Allowed 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.591 2.194 . . . . 0.0 112.301 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.76 59.05 0.38 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -155.72 -57.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.557 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.816 0.341 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 9.8 ptt? -148.67 169.84 19.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 60.63 105.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.9 t -140.42 108.02 5.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 t -59.99 150.46 28.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.3 p -153.42 143.21 21.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.06 178.76 16.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.85 53.85 4.93 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.695 2.263 . . . . 0.0 112.542 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.93 37.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.974 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.9 p -171.48 142.53 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -60.59 -173.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -56.57 -30.05 62.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -159.66 31.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.92 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -140.81 153.74 45.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.38 138.22 31.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.34 166.84 41.82 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.15 143.02 52.35 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.539 2.159 . . . . 0.0 112.34 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.87 108.23 5.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.28 35.11 1.13 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.511 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.0 t -120.82 173.3 7.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.15 158.42 28.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.1 t -141.29 -47.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.418 ' CZ2' HG23 ' A' ' 25' ' ' THR . 24.4 t90 -159.78 80.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -84.02 136.32 34.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.418 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 26.4 p -153.9 -170.03 3.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.0 p -98.49 29.72 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.79 -40.99 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.3 p -163.74 -170.01 2.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.401 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 22.1 m -136.09 150.71 49.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.401 ' CD2' ' O ' ' A' ' 29' ' ' SER . 39.9 m80 -153.71 167.17 30.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -142.28 161.44 38.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.6 153.77 30.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.5 t -93.97 -35.49 12.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.42 -28.09 14.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -78.35 -32.81 49.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -149.56 162.12 40.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.6 t -72.25 -27.5 62.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -57.1 139.48 52.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.012 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.9 m -120.18 87.74 40.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -52.06 141.96 45.9 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.577 2.184 . . . . 0.0 112.269 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.3 p -85.32 57.3 4.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.42 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 57.4 t80 -132.26 139.69 35.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.808 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 42' ' ' TYR . 57.2 Cg_endo -71.11 129.13 15.7 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.44 2.093 . . . . 0.0 112.26 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.98 -169.19 32.5 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -80.09 -57.66 3.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.428 -1.206 . . . . 0.0 112.495 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.85 0.357 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 19.5 ptp -130.6 -178.17 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -90.55 151.73 21.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 t -153.08 121.41 6.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.23 153.28 22.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.44 172.01 13.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.26 -174.61 22.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -33.3 17.05 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.567 2.178 . . . . 0.0 112.249 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.2 t -98.06 37.48 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.17 134.88 54.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -97.79 85.57 3.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 63.9 -79.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.57 31.33 1.88 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -140.55 159.93 41.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mp -81.36 144.73 31.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -85.47 162.56 47.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.3 136.6 40.78 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.535 2.156 . . . . 0.0 112.318 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.54 112.08 1.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.51 27.13 3.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.582 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.7 m -90.21 163.0 14.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.751 0.31 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.48 95.52 6.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.0 p -91.27 -31.53 16.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -140.91 152.48 45.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -171.56 124.65 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.1 p -108.05 -77.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -177.58 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -87.26 -32.57 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 m -134.13 151.16 51.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.8 m -131.13 122.5 26.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 53.2 m170 -102.43 151.91 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -131.22 158.59 40.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.4 148.28 37.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.2 p -82.91 -35.56 26.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.56 -28.38 13.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -83.15 -33.25 26.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.349 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 p -142.6 163.72 32.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 36.1 m -72.13 -28.92 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.21 150.08 31.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -118.24 88.04 31.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -51.82 169.01 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.543 2.162 . . . . 0.0 112.344 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.2 m -98.2 35.91 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -91.17 149.5 39.95 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.19 108.39 2.15 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.592 2.195 . . . . 0.0 112.292 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.56 -97.61 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -107.32 -62.16 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.396 -1.225 . . . . 0.0 112.482 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.791 0.329 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -66.23 -55.69 14.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -68.65 -170.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.1 t -176.46 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.59 107.63 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 p -106.01 150.64 25.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.36 165.42 12.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.556 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.64 -21.4 31.43 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.671 2.247 . . . . 0.0 112.527 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 39.0 m -96.65 32.87 1.95 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.102 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.3 p -177.71 140.73 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.949 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -145.78 165.08 29.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.814 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.1 pm0 44.42 31.06 0.54 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.452 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 64.5 77.64 0.31 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.95 136.42 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.86 126.45 33.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -73.61 160.34 82.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.809 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.73 141.37 49.42 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.578 2.185 . . . . 0.0 112.274 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.42 100.45 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.94 -26.45 0.92 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.61 153.46 16.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.814 0.34 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.56 145.75 24.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.3 p -103.8 -38.19 7.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -106.7 -47.75 3.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.59 105.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.947 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.4 p -158.49 165.02 35.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -86.66 55.92 3.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 p -178.69 -38.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.0 m -103.7 -78.31 0.56 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.4 t 60.02 77.6 0.31 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -84.04 174.74 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -135.22 149.67 49.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.9 m -82.47 136.77 34.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.8 p -64.4 -30.31 71.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.5 -26.98 19.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.41 -30.75 15.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.318 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -138.01 156.16 48.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 67.5 m -72.55 -24.68 61.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.053 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.68 127.2 28.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.12 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.8 t -103.72 94.15 5.91 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.79 151.76 78.26 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.473 2.116 . . . . 0.0 112.333 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -60.64 -30.08 69.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -114.63 86.9 13.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.76 -27.64 34.93 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.549 2.166 . . . . 0.0 112.343 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -136.11 -140.87 4.22 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.522 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 60.29 80.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.49 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.842 0.353 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 10.5 ptp -106.15 -43.72 4.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -144.03 -63.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -77.32 134.98 38.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.7 p -60.18 111.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.6 p -128.36 132.38 48.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.82 -156.63 22.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.93 -34.16 14.55 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.579 2.186 . . . . 0.0 112.283 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.68 -51.69 5.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.4 m -59.42 144.17 47.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.78 84.64 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 61.47 68.98 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.7 t 60.04 68.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -170.85 106.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -72.06 128.28 35.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -79.36 154.21 76.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.31 141.65 49.29 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.596 2.197 . . . . 0.0 112.303 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.69 110.74 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.25 34.77 1.17 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.4 m -98.25 149.84 22.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.2 p -70.96 118.21 13.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.44 -33.19 21.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.417 ' CZ2' HG23 ' A' ' 25' ' ' THR . 4.8 t90 -137.48 100.19 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.23 74.11 7.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.417 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.6 OUTLIER -111.62 -14.8 13.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.21 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.04 31.2 0.85 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.925 0.393 . . . . 0.0 110.656 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m -113.22 -31.06 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.171 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.1 p -164.37 -169.87 1.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.9 m -132.47 126.8 33.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -116.16 -39.36 3.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 61.58 153.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.67 139.66 37.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.1 p -60.77 -47.47 86.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.11 -37.71 3.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -33.08 64.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -136.05 166.67 22.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.07 -30.77 65.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -62.96 133.43 54.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.47 145.84 30.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.73 177.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.552 2.168 . . . . 0.0 112.298 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 t -146.06 31.59 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -159.78 88.4 1.96 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -51.49 104.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.582 2.188 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.39 -88.76 0.11 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.535 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -169.71 139.85 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.822 0.344 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.351 -1.249 . . . . 0.0 112.47 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.825 0.345 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 25.7 mtt 60.57 170.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -155.44 156.07 34.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.9 t -160.17 149.95 18.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.6 p -69.3 109.91 4.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.6 p -131.86 134.29 45.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.19 -177.31 34.11 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.15 -39.13 71.77 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.568 2.179 . . . . 0.0 112.311 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.9 t -98.89 31.81 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 72.1 m -151.19 127.78 10.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.01 151.44 42.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 60.6 35.83 19.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 60.75 36.12 19.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -150.51 163.91 37.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.55 148.0 26.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -78.78 154.07 78.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.86 143.39 50.2 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.556 2.171 . . . . 0.0 112.254 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.73 92.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.7 -28.52 0.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.55 161.24 7.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.347 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.25 124.71 50.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.36 -32.83 64.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -158.33 116.65 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -158.02 118.48 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.0 t -176.65 74.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.6 m 59.54 30.56 20.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 p -134.91 -44.84 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 t -167.58 -171.79 1.74 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -143.88 84.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 59.5 m170 -81.66 -178.01 6.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -159.72 151.58 20.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.1 m -98.81 153.74 18.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.1 p -103.4 -31.43 10.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.73 28.38 16.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.446 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.6 -32.99 6.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.56 172.29 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 72.7 m -72.26 -31.64 65.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -66.79 111.1 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.51 149.2 64.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.15 151.17 66.7 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.576 2.184 . . . . 0.0 112.296 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 p -105.36 33.75 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -134.03 87.22 35.17 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.15 120.1 6.75 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.562 2.175 . . . . 0.0 112.315 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.7 147.59 35.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 60.46 159.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.526 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.819 0.343 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -142.04 -179.89 6.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -71.43 -174.62 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 m 60.59 99.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.5 82.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 m -108.85 153.07 24.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.57 -151.32 22.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.538 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.59 -37.76 6.8 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.56 2.173 . . . . 0.0 112.367 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.7 t -100.58 31.01 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.8 m -145.84 176.67 9.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.4 mtt-85 -157.33 131.21 8.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 62.63 -80.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -154.31 31.51 0.43 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -148.44 152.08 36.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.25 154.5 19.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -78.66 160.27 72.49 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.21 143.89 40.75 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.582 2.188 . . . . 0.0 112.309 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.29 117.49 4.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.14 28.3 3.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.0 m -91.27 164.7 13.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.822 0.344 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.22 151.57 35.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 m -126.61 78.83 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.9 t90 60.68 106.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.21 139.97 53.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.4 30.89 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.64 27.76 16.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.002 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -120.79 -39.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t -141.08 -171.45 3.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.12 154.25 49.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.419 ' CE1' ' HB3' ' A' ' 39' ' ' CYS . 4.5 t-160 -170.48 144.36 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -136.35 144.67 44.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 88.7 m -63.46 169.35 3.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -93.16 -44.64 8.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.09 38.57 1.81 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -159.75 -44.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 p -128.99 164.96 22.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.06 -29.87 64.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -64.51 103.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.419 ' HB3' ' CE1' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -60.29 147.18 82.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.47 168.96 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.55 2.166 . . . . 0.0 112.293 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.5 m -102.53 -31.56 10.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -114.53 87.35 13.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HG3' ' CD2' ' A' ' 30' ' ' HIS . 54.1 Cg_exo -52.11 126.64 20.88 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.517 2.145 . . . . 0.0 112.337 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -161.51 28.84 0.29 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -120.4 -177.74 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.349 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.523 179.943 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.811 0.338 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 10.0 tpt -105.93 -65.59 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -160.69 134.04 6.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.39 113.26 12.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.2 p -95.69 143.39 26.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.1 p -130.39 129.92 43.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.788 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.99 -153.83 8.11 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.619 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -74.79 -38.89 1.51 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.65 2.233 . . . . 0.0 112.639 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.8 t -81.81 -74.1 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.035 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.3 p -53.63 148.98 8.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.125 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -168.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.08 -31.28 68.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -160.22 35.62 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.31 114.02 7.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.4 tp -60.57 137.27 58.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -79.69 161.92 64.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.61 133.69 32.85 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.557 2.171 . . . . 0.0 112.306 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.83 110.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.065 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.57 36.12 2.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.4 t -125.23 164.38 20.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.815 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.9 142.23 54.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.13 -38.95 7.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.444 ' CH2' ' CG2' ' A' ' 25' ' ' THR . 37.0 t90 -176.14 66.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.6 ptt-85 -60.02 125.5 23.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.444 ' CG2' ' CH2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -110.63 -33.5 6.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 m -178.72 -38.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -150.98 -44.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.192 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.5 t -59.5 126.02 25.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.1 m -130.21 140.08 50.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 45.5 m170 -110.06 -31.25 7.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 63.68 136.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.06 142.38 39.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.1 p -78.8 -41.9 29.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.33 -26.95 20.19 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.528 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.31 -30.31 15.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.9 t -148.19 161.2 41.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.02 -27.27 62.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.054 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.76 98.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.974 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 89.9 m -76.86 149.15 80.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.32 177.4 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.556 2.171 . . . . 0.0 112.296 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -134.15 34.28 3.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.427 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 62.0 t80 -150.64 139.18 12.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 42' ' ' TYR . 56.4 Cg_endo -70.37 140.51 40.54 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.473 2.115 . . . . 0.0 112.318 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.74 -156.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.532 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -128.91 -67.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.335 -1.258 . . . . 0.0 112.463 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.852 0.358 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.4 ptm -134.45 35.49 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -95.19 110.01 22.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.5 t 60.32 107.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 p -60.31 159.7 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.74 141.17 26.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.37 -162.84 33.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.82 -36.44 10.64 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.614 2.21 . . . . 0.0 112.312 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.1 t -97.97 37.01 1.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.82 127.61 55.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -99.42 94.96 6.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.89 -79.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.51 37.48 0.83 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.72 136.29 24.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 tt -68.75 121.82 17.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -60.16 148.49 78.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.5 136.3 56.49 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.546 2.164 . . . . 0.0 112.313 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.93 103.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.65 -26.16 2.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.568 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -58.68 147.9 31.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.2 p -60.39 154.73 19.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.43 -51.17 2.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -163.25 78.0 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -110.46 121.24 44.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.86 -36.24 9.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -178.51 -39.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -118.33 -37.61 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.197 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.4 p -60.01 163.56 4.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 m -164.22 124.32 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -126.07 -46.3 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 60.74 157.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.96 172.24 13.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -112.03 -37.38 5.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.49 -30.36 8.89 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.561 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 mtm-85 -72.15 -31.96 66.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.7 t -159.24 169.75 23.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.5 m -72.1 -30.73 65.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.17 134.82 54.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.6 147.88 38.85 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.46 172.2 0.17 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.581 2.187 . . . . 0.0 112.293 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -101.73 -31.11 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -105.3 87.89 2.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.17 136.92 35.88 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.519 2.146 . . . . 0.0 112.279 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 162.11 -28.82 0.27 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.477 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.69 111.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.511 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.816 0.341 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.3 mmt -60.38 162.24 6.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -70.62 92.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.1 t -60.48 163.1 5.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 t -88.31 141.96 28.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.69 157.41 43.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.64 -168.57 24.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.93 -38.67 1.15 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.647 2.232 . . . . 0.0 112.59 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.94 55.51 3.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.094 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.9 p 179.97 142.32 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -114.35 144.75 42.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 62.57 -80.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.47 37.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -145.77 143.02 29.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 pp -60.14 158.01 12.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -87.09 162.42 43.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.76 144.64 54.69 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.611 2.207 . . . . 0.0 112.307 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.86 108.35 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.61 -27.34 2.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -59.6 157.03 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.416 ' CG2' ' CE1' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -103.26 134.45 46.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 87.0 m -60.3 -73.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.413 ' CE2' HG22 ' A' ' 25' ' ' THR . 13.7 t90 -122.22 118.07 27.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -102.4 113.06 26.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.413 HG22 ' CE2' ' A' ' 23' ' ' TRP . 1.0 OUTLIER -133.32 32.08 3.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.0 m 60.73 32.11 20.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.61 -38.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.2 m -88.11 149.73 23.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 20.9 p -176.56 110.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -99.94 -32.03 11.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.416 ' CE1' ' CG2' ' A' ' 21' ' ' THR . 24.6 m-85 61.32 154.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -118.27 148.91 41.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 t -77.71 -30.93 52.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.26 27.17 7.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.554 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.69 -33.44 6.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.34 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 96.6 p -155.06 172.22 18.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.3 t -75.45 -29.62 59.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -58.56 109.53 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.6 m -60.61 149.77 77.47 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.31 177.44 5.96 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.589 2.193 . . . . 0.0 112.289 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.4 m -125.85 35.55 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -164.08 87.55 1.16 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.41 -27.14 28.48 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.541 2.161 . . . . 0.0 112.373 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.07 -152.69 50.38 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -104.24 -175.9 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.387 -1.23 . . . . 0.0 112.493 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.833 0.349 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.68 143.92 56.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -152.26 106.73 3.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 p -137.25 161.19 36.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.24 132.74 54.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.44 163.72 12.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.09 162.57 9.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.23 -35.29 62.85 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.577 2.184 . . . . 0.0 112.311 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.3 t -70.49 -39.52 74.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m -76.81 129.63 36.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.71 115.32 30.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 63.93 -79.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.9 t -156.19 68.92 0.62 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -170.53 150.64 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tt -89.98 118.73 29.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 149.16 85.91 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.35 143.58 43.19 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.569 2.179 . . . . 0.0 112.282 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.79 121.89 12.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.07 28.28 4.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.8 m -104.94 143.85 32.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.08 131.96 45.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.77 -52.36 65.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -157.03 79.63 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -65.0 125.13 23.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.3 p -160.61 -78.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.2 p -177.99 -39.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -79.77 -32.69 14.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 t -113.55 175.54 5.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.75 36.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.42 ' CD2' ' HG3' ' A' ' 43' ' ' PRO . 12.1 m170 -69.2 -178.03 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -145.99 147.98 32.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.94 171.51 14.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 p -106.98 -67.35 0.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 143.08 -36.56 1.58 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.524 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.96 -31.31 14.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.7 m -128.29 172.59 10.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 m -122.45 29.38 6.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -98.33 103.46 15.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.37 110.0 2.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.44 172.8 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.464 2.109 . . . . 0.0 112.291 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.3 t -111.59 31.68 5.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -159.83 86.61 2.03 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.42 ' HG3' ' CD2' ' A' ' 30' ' ' HIS . 52.6 Cg_exo -52.54 -61.68 0.46 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.526 2.151 . . . . 0.0 112.334 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 162.41 -160.99 33.23 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.532 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -99.12 31.55 3.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.517 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.789 0.328 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -136.47 31.49 2.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.69 106.73 14.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.1 141.26 36.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.9 p -60.79 108.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.4 t -153.55 138.6 17.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.49 -150.42 22.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.556 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.18 -59.92 0.93 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.596 2.198 . . . . 0.0 112.318 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 t -98.42 35.69 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 99.1 m -150.72 123.08 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -105.16 111.85 24.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 63.72 -80.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.2 m -147.72 36.38 0.87 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -137.64 136.42 37.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 tt -97.63 123.84 41.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -61.29 149.64 82.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.33 143.26 44.21 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.56 2.173 . . . . 0.0 112.288 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.7 108.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.45 -29.39 2.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.7 m -60.4 140.48 57.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.406 HG21 ' CD2' ' A' ' 31' ' ' TYR . 18.7 p -75.27 104.24 5.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.1 p -74.29 -31.56 62.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.4 t90 -134.33 121.37 21.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -148.97 170.06 19.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -169.99 -42.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -172.25 -77.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.4 -31.23 4.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.6 p -90.89 118.86 30.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.38 113.85 9.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -106.38 121.51 44.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.406 ' CD2' HG21 ' A' ' 21' ' ' THR . 38.8 m-85 -86.91 172.11 10.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.21 172.31 10.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -103.24 -41.17 6.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.75 32.76 4.96 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.503 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -156.81 -45.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.0 m -129.71 167.82 17.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.1 m -72.28 -31.25 65.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -65.26 115.43 5.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.1 m -82.85 149.7 60.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.84 172.76 12.13 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.591 2.194 . . . . 0.0 112.351 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.9 t -107.05 33.11 4.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -106.3 85.85 1.86 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.96 -27.01 26.05 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.59 2.194 . . . . 0.0 112.366 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 173.59 -161.97 32.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -162.5 -74.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.485 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.837 0.351 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.9 ttt -104.93 163.93 12.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -133.64 145.76 50.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.62 133.34 21.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.2 p -60.39 91.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.4 t -142.01 131.16 23.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.17 -150.07 9.2 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.87 -54.01 6.03 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.621 2.214 . . . . 0.0 112.323 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.5 m -81.05 -56.47 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.1 m -59.87 144.03 49.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -125.03 -74.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -91.32 55.97 2.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m 59.45 31.14 20.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -128.24 158.4 38.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.67 114.79 29.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -59.95 162.98 8.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -68.52 145.25 63.89 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.574 2.183 . . . . 0.0 112.278 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.04 101.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.21 -28.31 0.99 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.3 172.31 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.18 134.13 47.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.7 p -86.76 -39.38 16.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -141.42 112.1 7.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -108.32 113.59 26.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.21 -177.28 5.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.1 t -98.73 30.32 3.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.97 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 m -127.06 -43.23 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -155.79 -176.21 5.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -149.79 150.98 32.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 31' ' ' TYR . 6.3 m-70 -142.26 174.2 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 30' ' ' HIS . 23.9 m-85 -151.03 127.51 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 m -65.27 172.28 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.7 p -105.5 -31.26 9.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.08 -27.99 10.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -31.53 53.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m -136.74 168.64 19.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 80.9 m -72.25 -31.64 65.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -65.53 164.45 14.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.0 p -130.1 54.31 14.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.29 106.35 1.74 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.563 2.175 . . . . 0.0 112.293 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.91 31.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.4 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 5.1 m-85 60.82 157.18 0.11 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.97 97.59 0.66 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.603 2.202 . . . . 0.0 112.297 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.65 119.3 17.63 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.548 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 60.53 165.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.336 -1.258 . . . . 0.0 112.452 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.818 0.342 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 9.5 mtp 60.4 34.93 20.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -103.61 106.95 17.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.3 t -130.57 109.43 10.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.2 p -82.7 110.22 17.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.4 p -130.93 149.01 52.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.64 -150.96 23.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.17 -35.76 10.88 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.607 2.205 . . . . 0.0 112.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 t -98.8 31.06 3.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 39.5 m -141.95 149.05 39.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.2 mtm-85 -92.22 -83.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -111.75 -27.75 8.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.792 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.7 t 179.94 38.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 pttm -144.31 172.66 12.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.99 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.92 126.38 52.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -60.41 148.71 79.46 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.51 143.1 46.58 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.601 2.2 . . . . 0.0 112.261 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.78 139.08 57.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.85 -26.99 21.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.6 m -59.19 130.79 48.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 p -60.2 159.47 9.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.24 -66.91 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.448 ' CZ2' ' CG2' ' A' ' 25' ' ' THR . 9.6 t90 -132.63 145.49 51.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -128.5 126.51 40.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.448 ' CG2' ' CZ2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -163.69 31.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m 59.66 64.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -178.7 -38.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.1 t -162.0 132.56 4.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.84 -33.16 7.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.5 m80 59.96 -176.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -156.92 120.04 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.39 136.78 58.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -66.89 -30.85 71.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.82 27.76 25.66 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.556 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -135.48 -45.91 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 m -128.66 158.49 38.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -72.39 -26.04 61.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.022 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -57.32 135.23 56.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.023 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.9 90.43 15.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.59 170.93 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.541 2.161 . . . . 0.0 112.39 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.3 m -114.75 70.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.411 ' N ' ' HD2' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -177.61 -61.85 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.026 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 42' ' ' TYR . 37.5 Cg_endo -65.97 72.95 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.413 2.075 . . . . 0.0 112.195 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -126.1 -86.68 0.62 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -140.33 161.28 38.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.475 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.8 0.333 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 13.1 mtp -144.35 -177.34 5.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.8 t0 60.57 37.23 19.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -177.46 -39.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.17 117.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.4 m -148.02 154.43 40.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.46 -175.09 43.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.538 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.25 -45.3 40.27 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.615 2.21 . . . . 0.0 112.316 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 t -97.36 39.44 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.0 m -144.56 118.26 9.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -77.71 102.79 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 63.94 -79.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -141.83 31.64 1.62 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.09 156.53 42.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.43 126.15 46.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.96 156.29 48.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.6 143.88 53.08 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.523 2.149 . . . . 0.0 112.314 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.51 110.81 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.066 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.09 -28.52 2.92 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.62 172.27 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 p -86.93 174.57 8.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.7 t -129.91 -46.07 1.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -131.86 92.83 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.7 111.75 22.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.8 p -153.31 -169.8 3.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -108.77 67.1 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.42 -38.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.03 151.48 31.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -133.57 116.27 15.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -97.18 175.12 6.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -134.56 160.37 38.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.45 142.91 32.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.6 t -95.9 -34.75 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.64 28.09 22.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.525 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.1 ttm-85 -109.8 -33.43 6.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -162.65 168.17 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 70.7 m -71.98 -29.63 64.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -62.41 103.81 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.25 147.78 57.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.46 174.35 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.589 2.193 . . . . 0.0 112.309 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.2 t -131.49 31.67 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -145.31 149.38 41.08 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.43 -167.93 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.606 2.204 . . . . 0.0 112.29 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -156.4 93.15 0.13 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m120 60.39 34.97 20.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.832 0.348 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.544 -179.958 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.852 0.358 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 28.5 mtt -134.01 -74.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -87.45 120.62 28.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.4 p -138.24 166.34 24.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.49 172.56 6.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.46 138.32 52.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.97 169.86 22.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.545 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.12 -20.93 48.56 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.683 2.255 . . . . 0.0 112.612 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.87 41.26 1.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.21 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.8 p -179.44 124.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -105.84 107.82 19.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.8 59.65 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 65.4 m 59.78 34.02 21.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.84 84.68 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 pp -63.61 131.18 47.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.8 163.8 6.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.05 145.76 68.51 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.569 2.179 . . . . 0.0 112.282 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.19 132.72 53.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.165 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.04 -28.26 9.99 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.527 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.0 m -62.91 122.96 17.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 t -60.6 117.59 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 80.0 m -60.26 -31.49 70.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -168.58 99.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -91.62 167.64 12.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 p -162.78 -77.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.41 -39.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.947 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 p -106.13 -31.23 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.4 p -108.13 154.39 21.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 t -159.43 132.35 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -143.22 130.73 21.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -110.73 148.63 31.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.52 172.22 8.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 t -100.08 -31.26 11.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.99 27.72 13.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -135.78 -46.22 0.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.968 0.413 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -136.17 166.32 23.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.826 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.1 m -72.35 -28.13 62.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -56.88 96.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.968 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.6 t -106.15 88.14 2.94 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.96 177.01 5.43 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.537 2.158 . . . . 0.0 112.343 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 p -97.05 61.99 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -106.99 78.99 0.63 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.95 179.87 3.49 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.618 2.212 . . . . 0.0 112.285 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.28 -144.23 11.57 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.535 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -106.46 32.84 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.769 0.318 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.522 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.872 0.368 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.1 ttt -150.55 79.77 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -70.87 163.66 26.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.7 t -177.17 -39.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.25 113.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.1 p -129.71 151.98 49.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.33 179.92 35.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.84 -26.14 19.33 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.639 2.226 . . . . 0.0 112.423 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -94.09 45.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 p -177.47 164.94 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -101.23 -169.43 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.65 89.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.026 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 63.08 58.15 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -176.5 118.74 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.51 137.57 35.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -73.6 162.16 75.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.25 144.74 37.86 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.604 2.203 . . . . 0.0 112.369 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.47 126.03 25.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.9 33.62 5.73 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.522 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.0 m -99.18 115.67 29.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.22 114.21 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.8 p -118.08 -40.65 2.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -116.16 127.54 54.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -177.01 111.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 p -97.43 -36.55 10.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -178.32 -39.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -116.05 -36.32 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.131 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 t -64.03 89.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -97.33 78.21 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.421 ' CE1' ' HG3' ' A' ' 43' ' ' PRO . 1.5 m-70 -95.18 179.22 5.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 30' ' ' HIS . 46.9 m-85 -147.82 150.9 35.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.07 146.13 44.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.5 p -60.28 -39.68 87.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.57 -28.39 13.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.8 ttp85 -114.69 -34.82 5.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.767 0.318 . . . . 0.0 110.984 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 m -111.0 172.69 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.001 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.2 m -83.53 -24.59 31.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -56.46 131.48 48.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.051 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.412 ' CB ' ' CD ' ' A' ' 40' ' ' PRO . 1.3 m -72.82 -60.89 1.76 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 39' ' ' CYS . 57.3 Cg_endo -71.13 139.88 36.46 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.508 2.139 . . . . 0.0 112.361 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.1 p -177.37 80.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 61.55 89.19 0.11 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HG3' ' CE1' ' A' ' 30' ' ' HIS . 58.4 Cg_exo -51.57 -26.83 23.5 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.556 2.17 . . . . 0.0 112.39 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.91 77.72 1.45 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -166.91 126.99 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.329 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.498 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.774 0.321 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.1 mmm -60.28 128.91 39.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.56 79.24 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 60.7 164.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.842 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.34 89.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.2 p -107.59 126.48 52.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.51 -176.08 38.04 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.78 -29.5 15.52 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.579 2.186 . . . . 0.0 112.372 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.5 t -98.37 31.04 2.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.8 p -173.38 109.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.37 135.26 52.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 60.26 41.28 16.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.8 t 61.19 35.66 18.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -135.06 100.66 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.32 138.06 56.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.63 142.97 97.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.43 145.84 44.4 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.482 2.121 . . . . 0.0 112.283 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.82 112.6 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.68 -28.17 1.31 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.27 173.58 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.814 0.34 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.92 108.36 19.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -179.92 41.68 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.259 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.412 ' CD2' ' CG2' ' A' ' 33' ' ' THR . 81.9 t90 -177.23 122.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.166 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -126.32 149.49 49.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.754 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.406 HG22 ' CZ2' ' A' ' 23' ' ' TRP . 0.1 OUTLIER -145.89 -78.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.949 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.75 -42.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.0 m -71.79 -30.79 39.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.043 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.62 155.33 39.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.787 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -60.01 -79.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.408 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 70.8 t60 -158.43 72.95 0.63 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.627 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -122.54 129.95 52.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.06 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.11 129.41 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.412 ' CG2' ' CD2' ' A' ' 23' ' ' TRP . 15.8 p -63.15 -29.47 70.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.42 26.42 54.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.526 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -123.33 -41.29 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.372 . . . . 0.0 111.051 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 p -120.96 151.95 39.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.9 m -73.34 -21.47 60.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.72 133.68 47.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.844 0.354 . . . . 0.0 111.03 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.3 t -131.64 92.02 32.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -48.75 131.49 24.6 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.548 2.165 . . . . 0.0 112.36 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -31.85 68.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.77 108.74 1.28 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.066 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.41 -167.61 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.458 2.106 . . . . 0.0 112.381 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -139.09 -108.16 0.78 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 60.29 109.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.532 179.989 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.818 0.342 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.0 ttt -94.94 -31.63 13.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -163.94 37.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.4 t 61.89 152.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -101.06 158.36 16.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.17 136.41 22.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.56 -162.0 34.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.07 -30.36 20.97 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.616 2.21 . . . . 0.0 112.293 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.12 36.28 1.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.34 162.95 14.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -170.41 106.41 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? 60.39 46.68 9.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 61.34 31.45 19.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.03 168.47 19.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.83 140.67 29.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -67.49 165.87 26.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.21 144.56 75.4 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.599 2.199 . . . . 0.0 112.275 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.75 113.5 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.061 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.4 24.86 4.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.615 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 m -94.5 164.43 12.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.59 106.08 18.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.35 -68.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.443 ' CE3' ' CG2' ' A' ' 25' ' ' THR . 0.3 OUTLIER -110.89 179.14 4.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -148.76 108.83 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.443 ' CG2' ' CE3' ' A' ' 23' ' ' TRP . 28.4 p -131.66 -171.3 2.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.4 p -99.16 30.78 3.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 p -177.78 38.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.041 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -177.31 146.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.1 p -111.0 -33.81 6.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 59.64 95.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -106.35 109.21 21.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.34 161.19 7.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 p -95.96 -41.73 8.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.0 28.11 7.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -110.62 -33.09 6.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t -148.19 172.04 14.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.1 m -72.65 -31.36 65.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -74.8 145.26 43.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.5 m -100.47 152.93 37.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.32 177.52 5.88 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.539 2.159 . . . . 0.0 112.282 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.4 p -121.55 34.92 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -136.8 85.88 22.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.24 151.7 16.69 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.539 2.159 . . . . 0.0 112.32 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.21 -158.98 21.86 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -95.84 -34.06 12.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.517 -179.987 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.772 0.32 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.5 mmt -73.83 148.08 42.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -103.79 179.53 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.3 m -92.76 103.24 15.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.75 154.03 22.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -136.23 135.77 39.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.69 178.04 33.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.479 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -78.92 56.11 5.86 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.687 2.258 . . . . 0.0 112.537 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -171.93 33.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.068 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -176.95 -175.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -108.41 -167.85 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -59.06 -30.84 68.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.3 m -160.26 40.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -158.22 120.2 3.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.7 137.2 37.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -67.01 148.17 98.94 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.91 142.55 52.25 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.516 2.144 . . . . 0.0 112.294 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.33 101.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.84 -27.31 0.93 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.543 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.6 159.28 8.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.45 ' CG2' ' CE2' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -110.39 134.15 52.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.5 p -99.09 -40.91 7.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -133.13 114.85 14.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.52 99.33 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.7 p -74.84 -34.12 62.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.01 -39.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -123.38 -41.37 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.175 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 m -60.8 157.09 15.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.409 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 10.0 p -176.6 103.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -70.61 -38.87 74.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.45 ' CE2' ' CG2' ' A' ' 21' ' ' THR . 32.1 m-85 60.76 157.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -117.62 126.84 53.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 p -64.51 -29.73 70.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.12 25.99 6.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -114.19 -35.87 4.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.4 t -147.55 162.92 38.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.91 -28.47 63.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.961 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.52 128.15 34.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.37 149.21 36.94 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.37 129.73 17.43 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.554 2.17 . . . . 0.0 112.328 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -67.81 -31.61 71.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.425 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -91.03 147.41 35.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 42' ' ' TYR . 56.2 Cg_endo -70.37 171.32 15.35 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.557 2.171 . . . . 0.0 112.307 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.49 95.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.519 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -146.77 -48.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.422 -1.21 . . . . 0.0 112.496 -179.983 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.84 0.352 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 9.7 ttt 60.41 83.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.72 179.13 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.3 p -111.26 -34.06 6.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -173.13 100.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.3 p -128.11 121.39 29.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.61 -173.56 37.17 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.546 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.95 -27.28 17.68 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.6 2.2 . . . . 0.0 112.416 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.2 t -98.33 32.59 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.3 p -177.0 138.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -149.32 140.51 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 60.84 42.21 13.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.4 t 61.28 37.49 17.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -148.49 124.48 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -67.75 148.2 51.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -69.43 159.57 82.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.59 144.33 54.57 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.583 2.189 . . . . 0.0 112.286 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.04 98.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 150.2 -28.25 1.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.12 172.31 1.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.413 HG21 ' CD1' ' A' ' 31' ' ' TYR . 2.0 p -101.14 148.18 25.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.7 t -90.34 -70.59 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.41 ' CE2' HG22 ' A' ' 25' ' ' THR . 1.8 t90 -93.22 91.81 7.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.7 tpp85 -81.9 77.48 8.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.41 HG22 ' CE2' ' A' ' 23' ' ' TRP . 0.6 OUTLIER -105.3 -16.52 14.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.18 179.957 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 t 75.06 31.87 0.81 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.895 0.379 . . . . 0.0 110.623 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 m -113.32 -32.85 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.49 -169.97 3.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.1 m -119.07 102.29 8.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -119.96 164.12 16.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.413 ' CD1' HG21 ' A' ' 21' ' ' THR . 72.0 m-85 -157.13 159.62 37.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -97.14 152.28 18.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.0 p -76.75 -47.93 20.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.68 25.17 4.68 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.584 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.7 mtm-85 -113.31 -34.85 5.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 t -155.12 172.36 18.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.5 t -72.07 -31.17 65.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.44 84.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.8 p -59.98 149.57 73.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.21 174.97 9.11 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.572 2.181 . . . . 0.0 112.313 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -117.39 31.83 6.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -117.55 150.13 46.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.19 63.04 2.04 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.546 2.164 . . . . 0.0 112.299 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.01 83.56 0.18 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -168.23 97.28 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.503 179.988 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.798 0.333 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 44.4 ttm 60.7 109.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -152.36 35.75 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.4 m 60.55 82.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.3 p -60.45 117.36 5.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 t -132.03 149.55 52.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.7 -149.18 14.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.534 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.2 -46.67 0.97 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.626 2.217 . . . . 0.0 112.42 -179.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.2 t -87.03 5.84 35.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.465 -179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.9 m -125.7 165.46 18.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.816 0.341 . . . . 0.0 110.795 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 -87.64 -79.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.774 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -152.82 21.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 179.834 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.0 t 178.51 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -120.14 151.38 39.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.967 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 tt -85.27 155.98 21.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -72.75 162.8 72.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.01 143.26 41.17 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.488 2.125 . . . . 0.0 112.323 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.41 128.33 33.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.217 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.89 -25.18 7.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -58.36 154.84 12.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.349 . . . . 0.0 110.948 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -89.7 123.06 33.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.46 -43.65 96.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.412 ' CZ2' HG23 ' A' ' 25' ' ' THR . 26.2 t90 -158.71 79.86 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -60.69 136.06 57.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.412 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 54.4 p -156.2 -174.15 4.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.2 m -107.98 66.82 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 p -177.98 -38.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 t -165.53 167.04 17.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.26 150.18 48.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -106.53 -32.17 8.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.978 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 60.47 172.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 91.5 m -125.32 161.12 27.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -116.39 -39.11 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.69 32.11 5.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.5 mtt85 -123.71 -43.25 2.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.15 157.02 42.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.821 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.26 -25.88 62.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.24 86.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.807 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.8 m -58.8 147.8 70.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.26 177.26 6.81 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.57 2.18 . . . . 0.0 112.354 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p -134.68 31.63 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -136.66 87.53 20.62 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.53 114.21 3.59 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.586 2.191 . . . . 0.0 112.286 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.63 50.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -85.8 141.25 29.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.328 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.468 179.984 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.87 0.367 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 20.3 ttm 61.94 151.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.0 t0 68.19 -70.02 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 116.31 4.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.23 85.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.1 p -121.76 134.11 54.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.76 -168.84 40.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.616 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -57.38 -26.35 70.44 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.723 2.282 . . . . 0.0 112.531 -179.823 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.47 -49.81 5.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.917 0.389 . . . . 0.0 110.925 -179.885 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.9 m -66.94 154.39 41.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.804 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.5 -80.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -112.6 -28.26 7.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.671 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.9 t 179.4 37.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.838 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -137.17 132.28 33.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.3 117.87 22.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -58.33 155.22 28.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.41 145.06 63.88 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.572 2.181 . . . . 0.0 112.332 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.15 140.34 53.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.157 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.87 -28.32 16.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.0 m -63.63 150.86 43.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.8 p -80.4 111.13 16.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.4 t -60.29 -31.67 70.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -167.89 83.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -107.63 112.56 25.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.7 p -98.23 -36.25 10.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -178.49 -39.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.53 -41.11 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.184 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.3 t -75.29 76.41 2.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.27 97.64 11.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -84.68 -178.34 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -143.27 126.37 16.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.55 150.23 48.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 p -76.24 -62.3 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.43 -27.66 7.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.35 -31.49 10.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.344 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.2 p -126.91 172.46 10.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.8 t -106.51 18.91 21.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -87.52 130.87 34.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -129.47 87.85 51.96 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.16 177.66 4.95 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.585 2.19 . . . . 0.0 112.304 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.61 45.35 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -120.41 80.97 30.19 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.82 85.3 0.63 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.575 2.183 . . . . 0.0 112.313 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.67 30.69 69.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.475 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 64.18 -78.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.753 0.311 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.352 -1.249 . . . . 0.0 112.482 -179.999 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.822 0.344 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -175.05 2.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t70 60.56 163.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.8 t -65.35 -31.43 72.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.91 75.83 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.06 148.99 22.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.02 159.02 16.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.527 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.96 -26.42 40.26 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.668 2.246 . . . . 0.0 112.381 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.4 t -72.37 -59.59 2.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.3 m -59.18 152.91 19.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -98.11 -70.48 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -122.8 71.58 1.04 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.8 t 59.82 31.3 20.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -133.07 129.7 38.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 mt -69.86 130.07 41.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -72.79 149.44 90.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.51 137.65 57.57 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.583 2.189 . . . . 0.0 112.331 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.05 90.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.084 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.95 -28.24 1.27 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.3 m -60.23 163.43 4.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.414 HG23 ' CD2' ' A' ' 31' ' ' TYR . 5.6 p -101.43 137.48 39.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.7 p -109.51 -40.43 4.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -97.33 128.31 44.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 ttt85 -135.13 116.46 14.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -168.19 -179.14 3.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.5 t -98.83 31.36 2.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -111.19 -32.94 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 t -176.72 -170.13 0.31 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 t -137.36 127.07 25.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -130.69 173.69 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.414 ' CD2' HG23 ' A' ' 21' ' ' THR . 80.7 m-85 -146.67 138.73 24.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.11 130.67 43.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.2 p -60.33 -37.3 80.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.57 -28.56 12.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -72.44 -31.64 65.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.838 0.351 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -136.98 166.13 24.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.2 t -72.03 -30.53 65.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.7 162.6 6.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -128.32 88.31 52.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -69.07 163.92 35.87 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.558 2.172 . . . . 0.0 112.314 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.9 p -94.63 45.81 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -114.47 87.43 13.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.23 -176.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.57 2.18 . . . . 0.0 112.322 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.47 28.65 51.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 60.49 82.8 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.341 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.489 179.996 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.806 0.336 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 60.55 85.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -151.22 173.65 14.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.0 t 60.42 158.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.4 p -90.45 130.87 36.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.0 p -132.28 158.93 40.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.27 -178.61 40.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.05 -29.45 22.44 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.606 2.204 . . . . 0.0 112.32 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.2 t -74.57 -59.68 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.0 p -77.07 167.15 22.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.89 124.75 28.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 63.84 -79.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -160.33 76.34 0.6 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -170.2 100.04 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.57 120.3 10.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -66.86 151.42 96.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.24 142.57 45.74 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.58 2.187 . . . . 0.0 112.319 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.11 118.24 6.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.22 28.42 5.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.567 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.9 m -108.55 142.64 38.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 p -69.98 121.7 17.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.2 p -103.91 -43.38 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -106.47 122.14 45.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -156.26 90.36 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.4 t -86.27 -36.49 19.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.3 p -177.08 -40.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 p -119.52 -38.79 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.2 m -62.68 157.46 20.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.2 m -170.7 78.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -92.3 138.55 31.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -78.97 172.24 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -95.31 143.28 26.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 p -60.3 -41.09 92.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.03 -29.17 11.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -94.77 -32.94 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.7 t -133.82 168.76 18.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.9 m -72.21 -31.64 66.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -64.46 146.15 54.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 m -106.24 149.65 38.45 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.27 146.49 57.21 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.586 2.191 . . . . 0.0 112.338 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.2 t -88.05 -31.41 19.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -114.56 87.34 14.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.14 134.6 50.55 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.578 2.185 . . . . 0.0 112.301 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.34 -173.36 2.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.525 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -60.6 152.26 26.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.492 -179.999 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.879 0.371 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.51 35.45 4.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -143.4 37.76 1.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -177.97 -38.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.96 109.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.1 p -131.77 128.57 39.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.793 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.48 -159.95 22.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.618 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -55.99 -62.63 0.23 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.703 2.269 . . . . 0.0 112.472 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.56 -80.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.8 p -50.68 127.02 17.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.49 -75.22 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.876 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -91.29 50.29 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.3 m 59.38 31.18 20.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -127.41 106.24 9.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 tp -59.93 118.61 6.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 149.39 97.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.26 144.4 39.24 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.53 2.154 . . . . 0.0 112.357 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.81 98.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.94 -27.79 0.4 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.9 156.41 14.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.57 154.33 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.46 -66.41 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -128.15 78.63 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -105.2 80.35 1.59 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 t -74.93 -35.54 62.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 p -178.45 -39.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 p -125.05 -41.89 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.217 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -60.23 166.24 3.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 60.7 p -176.5 94.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -84.53 -31.76 24.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 29' ' ' SER . 52.3 m-85 60.62 171.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 m -129.75 127.86 41.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.5 t -71.51 -30.43 65.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.41 27.65 7.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -111.71 -33.86 6.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.0 t -160.51 162.26 32.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -72.05 -26.82 62.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.47 114.58 2.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.965 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.66 87.28 2.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.6 167.33 24.55 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.583 2.188 . . . . 0.0 112.317 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 t -85.69 57.14 4.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -148.53 71.25 10.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.68 -176.15 1.64 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.573 2.182 . . . . 0.0 112.259 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -105.14 148.22 16.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.527 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -98.58 138.78 35.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.489 -179.983 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.851 0.358 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 11.4 ttm -159.87 -61.83 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.8 -173.3 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p -154.83 82.18 1.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.41 107.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.87 150.07 30.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.76 -150.68 22.97 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.517 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.23 -45.39 0.88 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.646 2.231 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.03 39.44 1.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 91.9 m -128.16 178.8 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -150.31 -167.54 2.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -62.23 83.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 t 59.92 36.63 21.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.88 116.64 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.11 148.96 48.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -67.76 155.4 91.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.44 144.45 55.8 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.542 2.162 . . . . 0.0 112.296 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.82 134.92 57.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.59 -28.38 11.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.56 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.4 m -62.15 126.33 26.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -62.57 135.02 57.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.4 m -65.27 -53.84 38.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -102.7 -36.91 8.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.41 72.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.34 -173.85 2.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.3 t -64.05 -31.3 72.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.5 p -160.12 50.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 m -146.88 36.17 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.837 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.3 m -71.22 118.91 14.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -98.33 -31.28 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 63.05 121.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.07 158.22 11.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.8 t -81.29 -41.3 22.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.59 40.38 3.42 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.539 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -171.51 -41.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.965 0.412 . . . . 0.0 110.974 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.1 t -133.69 165.18 25.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -29.97 64.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.38 95.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.9 m -60.05 150.19 71.22 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.36 176.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.596 2.197 . . . . 0.0 112.295 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 m -109.54 -28.67 8.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -103.96 90.33 2.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.7 -27.18 32.26 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.561 2.174 . . . . 0.0 112.28 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.75 85.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.476 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 60.54 30.77 20.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.377 -1.235 . . . . 0.0 112.451 -179.932 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.775 0.321 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.9 ttt -60.23 -31.7 70.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -157.54 160.49 38.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.2 t -177.55 -39.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 60.41 106.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m -124.84 148.82 48.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.65 -157.63 27.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.9 -31.86 19.09 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.52 2.147 . . . . 0.0 112.325 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.92 31.05 3.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.7 m -136.46 115.98 12.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -97.53 82.67 3.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 60.87 70.96 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 59.95 35.66 21.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -147.02 101.82 3.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.59 143.85 56.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.35 151.25 74.9 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.03 143.54 40.34 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.594 2.196 . . . . 0.0 112.348 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 126.2 26.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.92 28.53 9.96 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.8 m -105.4 144.22 32.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.41 120.39 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.0 m -69.81 -52.07 28.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -130.74 97.88 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -88.02 130.28 35.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.2 p -149.95 -78.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.0 t -177.63 -39.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -87.18 -31.41 5.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.09 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.0 m -137.41 176.57 8.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.41 -44.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.0 m170 60.4 -177.41 0.1 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -146.75 120.39 9.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.81 169.29 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 t -99.94 -36.34 9.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.78 -29.07 11.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.449 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.7 mmm-85 -73.36 -32.88 64.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.2 p -144.55 166.76 24.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.11 -30.43 65.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.28 117.92 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.3 t -85.92 136.87 35.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -52.08 141.03 48.98 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.437 2.091 . . . . 0.0 112.351 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.57 36.07 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.415 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -127.09 147.58 62.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HD2' ' CG ' ' A' ' 42' ' ' TYR . 56.0 Cg_endo -70.35 170.67 16.71 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.496 2.13 . . . . 0.0 112.297 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.26 159.36 27.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -61.08 131.52 50.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.487 179.945 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.821 0.343 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.9 mtt -142.01 80.02 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -176.53 125.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.2 p -164.72 170.4 15.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 p -59.77 120.92 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m -128.45 148.92 50.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.86 -169.41 25.63 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.493 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.32 -34.95 72.8 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.59 2.193 . . . . 0.0 112.352 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.16 28.91 3.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.007 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.9 m -147.38 130.97 16.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -108.96 111.27 22.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.797 179.935 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 64.15 -79.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.4 t -147.16 36.9 0.93 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -143.72 141.16 30.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.1 138.35 31.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -60.32 155.07 49.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.39 144.39 55.82 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.545 2.163 . . . . 0.0 112.331 179.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.71 137.38 57.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.0 -28.22 14.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.2 m -60.06 133.14 55.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.954 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.6 p -78.68 133.37 37.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.17 -31.64 72.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -168.45 127.76 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.4 ttt-85 -134.57 100.55 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.05 -33.12 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -176.44 -77.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.59 -32.34 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.119 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.27 79.63 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.7 m -104.89 114.39 28.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -97.08 169.54 9.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -137.87 112.44 8.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.5 t -60.11 131.98 52.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.07 -40.91 91.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.5 -28.04 14.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.8 mtt85 -92.01 -32.1 15.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.5 m -133.36 157.38 45.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.24 -25.66 61.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -57.28 130.47 46.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.047 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -110.97 89.28 9.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -68.89 145.87 63.65 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.56 2.173 . . . . 0.0 112.24 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.28 57.27 4.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -128.14 79.03 74.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.16 -178.23 2.39 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.569 2.179 . . . . 0.0 112.31 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 173.05 118.66 0.5 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -130.87 173.55 10.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.493 -179.978 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.84 0.352 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.1 mtt 60.56 94.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -144.52 131.05 19.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.86 -33.98 45.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.8 162.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -169.79 143.86 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.7 -173.96 38.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.592 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.24 -22.36 22.25 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.628 2.218 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.3 t -95.66 40.08 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.056 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.9 p -177.44 169.12 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.76 160.55 34.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 60.44 30.57 19.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.64 35.43 22.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -145.52 124.53 12.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.39 129.89 44.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -59.89 162.03 10.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.23 145.91 61.71 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.535 2.157 . . . . 0.0 112.307 179.928 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.61 91.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.183 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.1 -29.15 0.25 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.18 172.25 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.851 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.2 t -127.72 114.88 17.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.0 p -59.09 -21.3 58.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.421 ' CD1' HG23 ' A' ' 25' ' ' THR . 1.1 t-105 66.71 91.65 0.08 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.406 ' HG3' ' CD2' ' A' ' 30' ' ' HIS . 4.0 mmt85 -76.84 -29.07 55.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.029 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.421 HG23 ' CD1' ' A' ' 23' ' ' TRP . 9.2 p 55.69 28.02 11.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.059 -179.896 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.7 t -126.95 -49.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.798 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.9 m -136.34 10.31 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.659 179.878 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.65 176.1 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.84 0.352 . . . . 0.0 110.954 179.81 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 26.2 m 58.35 89.89 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.016 179.92 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' 29' ' ' SER . 43.1 m-70 -161.41 104.14 1.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -123.55 172.34 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 29.8 m -117.06 154.39 31.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.6 p -105.93 29.48 6.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 57.68 27.68 59.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.618 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.71 -33.06 11.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.832 0.349 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -176.81 172.64 2.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.5 m -71.67 -29.87 65.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -66.44 102.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 147.78 79.93 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.79 172.13 14.24 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.528 2.152 . . . . 0.0 112.264 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m -100.54 31.5 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.423 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -145.74 146.55 29.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 42' ' ' TYR . 56.9 Cg_endo -70.79 -26.96 22.17 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.527 2.152 . . . . 0.0 112.315 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.21 -139.88 14.73 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.481 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -86.95 151.48 23.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.339 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.489 -179.983 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.83 0.348 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -77.79 -64.82 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -167.18 88.05 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.6 m -61.14 -169.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.1 94.9 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.853 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.88 141.45 30.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.32 -172.63 41.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.07 -21.83 20.11 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.612 2.208 . . . . 0.0 112.591 -179.907 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -95.54 21.84 7.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.298 -179.899 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.1 m -146.45 171.31 15.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.881 0.372 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -100.29 -78.77 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.699 179.861 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -138.55 6.43 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.621 179.964 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 41.8 t 176.38 -33.11 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.775 0.322 . . . . 0.0 111.116 179.884 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.63 130.2 54.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.718 -179.854 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 pp -79.55 156.54 27.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 -179.886 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -77.64 152.15 80.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -51.79 145.03 32.77 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.611 2.207 . . . . 0.0 112.304 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.49 115.68 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.115 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.42 -27.59 2.97 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.72 150.59 27.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -70.98 137.91 49.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.53 -31.68 14.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -157.77 116.09 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.69 132.35 44.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 t -176.45 161.74 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -88.27 54.52 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -151.92 -45.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.185 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.6 m -152.81 176.67 11.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 p -151.06 112.7 4.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.408 ' CE1' ' HA ' ' A' ' 43' ' ' PRO . 7.6 m170 -106.93 106.85 17.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -73.9 152.3 40.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.9 t -79.48 166.64 21.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.4 t -104.12 -44.62 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.14 -28.8 13.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.544 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.0 ptt180 -72.3 -31.53 65.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.08 170.69 21.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -31.03 65.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -59.73 114.49 2.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 m -92.17 166.49 17.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.06 151.44 16.47 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.597 2.198 . . . . 0.0 112.317 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.4 t -87.54 -32.76 19.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -94.35 149.65 37.02 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.408 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 55.6 Cg_endo -70.19 -168.16 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.551 2.168 . . . . 0.0 112.314 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -143.58 60.35 0.52 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -60.99 -71.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.423 -1.209 . . . . 0.0 112.529 179.968 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.764 0.316 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.18 140.78 58.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -73.05 -74.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.9 t -78.33 156.31 29.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.5 95.9 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.16 148.84 50.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.11 -153.01 24.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.536 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.5 -34.1 9.9 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.569 2.179 . . . . 0.0 112.37 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.3 t -98.38 30.5 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.0 m -134.31 129.38 35.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.15 -70.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -123.09 71.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.96 33.75 21.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.82 172.16 13.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tt -100.6 126.8 47.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -64.15 160.06 51.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 144.11 53.45 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.633 2.222 . . . . 0.0 112.282 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.25 106.54 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.939 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.5 -28.88 2.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.526 -179.949 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.3 m -72.9 144.63 47.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.803 0.335 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.4 p -59.3 157.22 11.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.1 t -85.68 -27.13 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.044 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.413 ' CD1' HG22 ' A' ' 25' ' ' THR . 0.9 OUTLIER -154.42 122.46 5.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.889 179.854 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.5 146.36 54.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.413 HG22 ' CD1' ' A' ' 23' ' ' TRP . 19.8 p -159.61 -44.94 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 p -176.99 -39.22 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 p -153.49 -44.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.21 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.2 t 60.58 165.48 0.07 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -162.33 38.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -112.96 -56.96 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 62.64 147.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -90.9 170.67 9.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.7 p -103.61 -31.24 10.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.02 27.68 6.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.543 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.16 -32.88 6.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.92 172.45 11.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -31.34 66.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -67.56 98.42 0.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.3 p -80.3 149.66 69.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.26 177.25 6.12 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.632 2.221 . . . . 0.0 112.304 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.18 -31.86 9.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -58.93 109.58 1.99 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.47 -171.86 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.439 2.093 . . . . 0.0 112.321 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.23 35.98 4.69 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.448 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.8 t30 68.46 -68.23 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.789 0.328 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.483 179.987 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.837 0.351 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.0 mmt -145.67 -68.04 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.42 141.4 56.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.5 p -89.94 80.47 6.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.56 82.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.2 p -136.28 141.99 43.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.72 -154.97 16.36 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.518 179.954 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.92 -28.36 24.6 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.589 2.192 . . . . 0.0 112.321 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.07 -56.93 3.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.9 m -59.8 147.31 38.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.85 -74.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -120.89 71.54 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.5 t 60.77 31.15 20.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -134.69 139.04 44.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 tp -79.84 131.68 35.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -63.66 149.36 92.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.31 144.07 40.91 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.59 2.193 . . . . 0.0 112.307 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.02 87.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.88 -28.17 1.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.546 -179.95 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.22 172.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.319 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.4 p -100.5 175.22 5.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.3 p -128.14 -45.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -135.03 79.24 1.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 ttp-105 -100.24 112.65 24.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.13 31.18 3.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.0 m 59.98 64.37 1.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 p -178.65 -38.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -133.01 168.88 17.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.0 m -160.79 82.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 65.5 m170 -73.61 -31.37 63.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 61.1 155.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -113.11 125.54 54.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.3 p -71.59 -30.87 66.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.81 27.13 7.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.531 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -111.77 -33.84 6.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.76 170.49 21.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.933 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.25 -31.53 65.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -66.08 119.29 11.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 149.42 67.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.05 177.4 5.82 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.554 2.169 . . . . 0.0 112.302 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.1 m -125.32 35.33 4.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -163.72 86.31 1.25 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.16 101.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.565 2.177 . . . . 0.0 112.333 179.99 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 142.62 45.56 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.538 -180.0 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -79.17 -64.78 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.332 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.387 -1.23 . . . . 0.0 112.506 179.958 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.844 0.354 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 6.8 mtt 60.45 80.97 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -104.66 158.94 16.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.6 m -105.26 -31.27 9.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 60.8 87.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.6 p -86.42 158.8 19.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.9 -172.34 32.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.544 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.26 -14.14 28.38 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.623 2.215 . . . . 0.0 112.654 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -96.83 30.22 2.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.792 0.33 . . . . 0.0 111.057 -179.949 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.2 p -175.81 171.28 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -127.85 -75.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -117.66 73.89 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.0 t 59.82 31.01 20.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -148.61 99.49 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 pp -60.1 147.89 37.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -74.34 158.21 85.59 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -51.97 144.47 36.35 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.573 2.182 . . . . 0.0 112.343 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.78 103.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.14 -27.33 1.41 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.59 130.74 48.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.849 0.356 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.29 161.03 7.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.1 t -106.63 -55.85 2.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.449 ' CD2' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -104.46 -33.79 8.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.961 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.2 ptp85 45.05 40.04 4.29 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.371 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.449 ' CG2' ' CD2' ' A' ' 23' ' ' TRP . 66.4 p -95.22 169.58 9.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.1 m -85.41 57.35 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -178.5 -38.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 m -130.93 108.85 10.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 t -95.85 79.64 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -79.81 146.44 32.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -131.31 150.68 52.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 t -72.67 172.29 10.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.7 p -109.99 -54.44 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.95 55.55 0.34 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -177.38 -39.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.0 p -122.73 172.47 8.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.8 t -123.71 30.09 6.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -111.39 91.92 3.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.69 110.04 2.32 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.37 176.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.431 2.088 . . . . 0.0 112.314 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.4 m -96.34 -31.61 12.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -78.71 150.68 76.15 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.93 -169.96 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.571 2.181 . . . . 0.0 112.327 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.64 132.47 1.85 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 60.51 109.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.495 -179.972 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.821 0.343 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.67 155.37 47.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 180.0 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -106.31 117.68 34.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -60.2 -169.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.16 92.43 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.3 p -137.61 159.22 42.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.49 -154.72 24.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.521 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.02 -34.88 12.89 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.566 2.177 . . . . 0.0 112.348 179.966 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.8 t -108.74 34.78 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -156.23 165.51 36.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -174.94 126.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 60.87 42.17 13.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.0 m 60.52 36.57 19.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -136.98 139.25 41.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.63 136.84 32.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -75.52 152.05 85.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.18 143.49 41.96 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.559 2.173 . . . . 0.0 112.306 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.97 140.99 56.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.74 -28.48 15.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.9 m -60.64 128.83 38.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.9 p -60.24 153.98 21.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 p -131.82 35.15 3.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -164.66 -69.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 59.81 89.81 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.89 -44.38 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -165.09 -43.2 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 p -155.47 -44.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.204 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.5 m -60.34 97.25 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.418 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . 57.8 m -86.23 108.76 18.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -60.7 -31.21 70.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 29' ' ' SER . 23.5 m-85 61.24 154.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.7 t -109.31 151.03 27.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.2 p -62.69 -60.43 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 134.56 -27.38 3.23 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.531 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -124.99 30.75 5.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.758 0.313 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.04 144.42 17.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 74.5 m -72.96 -18.8 61.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.044 179.941 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -102.09 161.81 13.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.874 0.369 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.2 m -116.41 151.57 47.08 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.69 171.66 15.05 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.547 2.165 . . . . 0.0 112.362 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.8 m -98.72 31.39 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -137.57 87.68 17.32 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_exo -51.89 -26.96 26.07 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.54 2.16 . . . . 0.0 112.319 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.4 161.69 23.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -106.6 -31.19 8.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.554 -179.964 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.832 0.348 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.29 93.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -133.61 31.6 3.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -154.78 -169.71 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.7 p -130.66 116.71 18.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -129.89 136.49 49.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.65 -169.12 36.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.67 -25.44 20.66 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.565 2.177 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.9 29.46 3.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.043 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.1 p -177.2 121.6 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -115.65 134.12 55.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 60.74 40.05 16.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 m 61.24 31.98 19.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.63 115.67 21.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.14 141.83 55.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -86.37 157.97 55.39 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.0 143.36 72.11 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.559 2.173 . . . . 0.0 112.291 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.38 111.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.73 25.25 4.33 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.605 179.998 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.5 m -93.02 163.29 13.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.09 105.44 5.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.5 t -60.02 -66.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -148.12 104.48 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.36 96.68 5.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.2 p -100.69 -37.62 8.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.3 t -178.79 -39.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.75 -36.25 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.178 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 t -62.0 154.18 27.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 p -176.66 79.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -107.25 -176.91 3.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -136.85 149.61 47.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.8 135.43 34.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -74.31 -41.5 61.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.89 26.01 5.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.545 179.928 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.59 -34.5 5.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.1 t -160.58 171.0 19.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -31.16 65.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.37 104.84 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.55 146.3 80.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.74 176.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.516 2.144 . . . . 0.0 112.325 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.66 -31.59 7.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -84.27 153.98 62.87 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.41 62.81 2.15 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.571 2.181 . . . . 0.0 112.316 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.6 80.83 0.12 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.526 -179.983 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -176.46 154.87 1.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.45 179.939 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.82 0.343 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.9 mtt -128.9 162.39 27.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -60.14 -51.09 71.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m 64.13 -76.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.057 179.967 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.91 131.7 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.7 p -124.72 146.8 48.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.65 179.71 48.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.51 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.06 63.04 1.96 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.598 2.199 . . . . 0.0 112.32 179.989 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.2 t -166.23 -65.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.0 p -69.85 177.18 3.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.7 mmt-85 -137.84 96.72 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 60.82 69.4 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.7 t 57.87 65.16 1.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.22 80.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 mt -58.02 111.46 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.896 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 mmtm -67.26 148.84 98.69 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.18 143.16 43.19 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.568 2.178 . . . . 0.0 112.352 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.47 98.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.76 -28.28 0.75 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.5 m -60.05 136.31 57.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.326 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 68.8 p -75.58 125.85 29.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.22 -40.19 89.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.415 ' CE2' ' HA ' ' A' ' 25' ' ' THR . 23.5 t-105 60.35 98.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -62.62 -27.72 69.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.91 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.415 ' HA ' ' CE2' ' A' ' 23' ' ' TRP . 0.2 OUTLIER 64.75 39.88 6.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 179.977 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.4 p -144.74 -49.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 179.922 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -178.72 37.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.051 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' ' CZ3' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -177.87 177.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.966 179.955 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.1 t -145.88 126.65 14.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -103.61 -177.32 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -130.07 130.37 44.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.7 149.21 49.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.05 -63.19 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.69 -28.62 2.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -84.15 -33.69 24.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.949 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -144.84 158.67 43.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 81.9 m -72.0 -26.43 62.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -67.37 111.54 4.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.03 153.23 96.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.53 175.33 8.05 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.552 2.168 . . . . 0.0 112.296 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 t -77.88 -32.84 52.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -89.52 150.16 43.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.33 -27.03 24.25 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.548 2.165 . . . . 0.0 112.368 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.55 143.11 10.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.983 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -135.35 35.22 2.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.796 0.331 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.503 179.994 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.842 0.353 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.3 ttt -132.42 104.19 6.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -132.71 169.6 16.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.1 p -161.41 -173.79 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 t -75.08 163.68 27.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -177.25 154.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.43 -156.49 27.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 -179.931 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.96 -37.08 1.71 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.662 2.241 . . . . 0.0 112.551 -179.829 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.6 t -84.66 56.88 4.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.042 -179.808 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 p 176.24 169.33 0.44 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.867 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -122.5 85.47 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.826 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 60.59 72.43 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.4 t 61.53 69.99 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.81 -179.903 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -177.83 98.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.92 133.97 55.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -73.51 154.38 89.75 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.36 144.05 41.49 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.576 2.184 . . . . 0.0 112.303 179.95 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.84 113.78 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.62 -27.8 3.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -59.89 164.19 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -105.28 151.83 23.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.7 m -90.34 -74.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.409 ' CE3' ' HB2' ' A' ' 28' ' ' SER . 12.1 t90 -102.7 150.35 23.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -155.06 84.83 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 t -97.92 -38.4 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.6 t -179.2 -39.47 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -121.96 -40.18 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.153 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.409 ' HB2' ' CE3' ' A' ' 23' ' ' TRP . 22.4 m -79.29 100.29 7.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.1 p -97.5 -34.39 11.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.416 ' CD2' ' HG3' ' A' ' 43' ' ' PRO . 5.1 m170 59.39 162.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 30' ' ' HIS . 45.6 m-85 -150.55 102.93 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.27 172.19 1.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.7 t -109.45 -31.23 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.47 26.84 8.98 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.57 -179.955 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -112.43 -34.27 5.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.82 172.25 18.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.4 m -72.3 -29.73 64.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -59.29 102.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 80.7 m -59.64 148.86 73.62 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.61 177.5 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.527 2.152 . . . . 0.0 112.292 -179.95 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.401 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 5.8 p -124.93 31.49 5.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.401 ' CG ' ' O ' ' A' ' 41' ' ' SER . 6.4 m-85 -170.81 87.39 0.5 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HG3' ' CD2' ' A' ' 30' ' ' HIS . 54.4 Cg_exo -51.89 -27.15 26.69 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.577 2.184 . . . . 0.0 112.38 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.97 137.0 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -106.54 -55.11 2.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.844 0.354 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.429 -1.206 . . . . 0.0 112.518 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.825 0.345 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.556 HG21 ' HG2' ' A' ' 38' ' ' GLU . 6.8 m -60.27 146.83 42.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.79 172.07 7.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.13 -163.66 29.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.519 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.22 167.5 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.624 2.216 . . . . 0.0 112.31 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.5 m 60.09 32.35 20.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.56 175.87 9.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -169.0 90.14 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 60.7 60.69 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 60.12 31.46 20.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.01 117.77 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.501 HD22 ' HA ' ' A' ' 35' ' ' ARG . 3.7 pp -60.2 151.57 26.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -86.48 160.39 51.0 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.17 143.69 41.08 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.57 2.18 . . . . 0.0 112.317 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.81 127.11 30.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.66 28.23 6.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 21' ' ' THR . 48.8 m -96.16 161.2 14.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.426 ' N ' HG22 ' A' ' 20' ' ' THR . 0.7 OUTLIER -86.84 142.22 28.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.2 t -102.75 75.5 1.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.1 t90 60.91 80.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 -63.38 130.63 45.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.49 HG23 ' H ' ' A' ' 27' ' ' VAL . 9.9 t -176.56 179.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -98.76 30.82 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.49 ' H ' HG23 ' A' ' 25' ' ' THR . 21.5 t -112.06 -33.31 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.5 t -176.73 96.73 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.4 m -71.36 119.83 16.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -140.48 -178.44 5.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -145.98 172.23 13.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 75.2 m -94.11 162.8 13.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.2 p -87.52 -68.63 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.67 -28.45 0.84 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.501 ' HA ' HD22 ' A' ' 15' ' ' LEU . 47.8 mtt85 -134.97 36.31 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -161.85 172.38 16.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.5 m -125.98 31.56 5.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.556 ' HG2' HG21 ' A' ' 5' ' ' THR . 4.5 mm-40 -106.22 144.33 33.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.2 t -114.82 86.39 13.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.16 177.39 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.586 2.19 . . . . 0.0 112.32 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -105.69 31.62 4.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 51.2 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.89 0.376 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.535 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 60.39 109.3 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.93 172.06 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.93 -155.61 16.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.91 155.08 66.32 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.529 2.153 . . . . 0.0 112.354 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.9 t 64.69 32.38 11.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.1 p -177.16 122.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -133.48 138.06 45.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 60.31 39.5 18.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 t 61.25 33.15 19.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -136.14 107.79 7.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.24 156.59 15.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -87.9 148.03 42.42 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.77 139.44 58.93 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.598 2.198 . . . . 0.0 112.303 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.91 90.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.51 -27.85 0.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -59.67 165.81 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.876 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 t -107.91 122.19 46.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.4 m -66.31 93.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.455 ' CH2' HG21 ' A' ' 25' ' ' THR . 27.2 t90 60.61 110.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -105.39 144.28 32.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.455 HG21 ' CH2' ' A' ' 23' ' ' TRP . 23.6 p -133.03 32.34 3.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.45 35.48 20.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -178.5 -38.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.1 m -84.26 119.3 24.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.76 102.06 4.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -103.28 -32.15 9.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 60.28 104.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 t -60.3 168.94 1.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.6 p -108.5 -31.08 7.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.82 27.75 10.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.562 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -112.21 -33.74 6.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.333 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -158.55 172.77 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.535 ' SG ' HG22 ' A' ' 5' ' ' THR . 65.2 m -71.8 -31.16 66.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -59.12 134.58 57.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 96.1 m -129.13 88.43 51.26 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -51.7 154.1 10.0 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.542 2.162 . . . . 0.0 112.325 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.39 57.3 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.1 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.807 0.337 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.849 HG21 HD23 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -61.45 131.03 48.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 54.4 m -150.83 134.77 16.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.61 -170.52 41.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.41 -54.3 5.42 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.592 2.195 . . . . 0.0 112.289 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.4 t -76.48 -53.2 8.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.7 m -55.47 162.47 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.39 -166.71 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.771 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -58.57 88.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 61.25 49.21 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.59 111.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.849 HD23 HG21 ' A' ' 5' ' ' THR . 3.9 pp -66.61 169.52 7.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -90.08 146.3 34.72 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.015 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.1 146.2 49.76 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.569 2.179 . . . . 0.0 112.297 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.13 112.53 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.16 -27.54 5.31 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -59.65 166.6 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.2 p -79.58 161.21 26.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.3 t -103.67 -48.73 3.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.439 ' CZ2' ' CG2' ' A' ' 25' ' ' THR . 6.4 t90 -149.02 142.98 25.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -139.98 108.14 5.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.439 ' CG2' ' CZ2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -105.46 -34.7 7.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -178.14 -39.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 28' ' ' SER . 12.4 p -128.99 -43.97 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.456 ' N ' HG13 ' A' ' 27' ' ' VAL . 3.0 t -76.61 102.72 6.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -92.67 -32.07 14.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.5 m170 60.63 -176.72 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -155.15 124.95 6.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.36 164.07 4.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.9 t -84.24 -38.78 20.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.05 40.92 5.71 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.535 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -174.73 -40.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.79 153.07 48.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 84.2 m -72.46 -23.27 61.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -57.35 120.52 8.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.951 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.59 89.09 14.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -51.49 136.87 48.84 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.561 2.174 . . . . 0.0 112.331 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.1 t -85.32 57.19 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.9 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.819 0.342 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 t -59.99 150.46 28.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.3 p -153.42 143.21 21.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.06 178.76 16.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.85 53.85 4.93 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.695 2.263 . . . . 0.0 112.542 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.93 37.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.974 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.9 p -171.48 142.53 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -60.59 -173.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -56.57 -30.05 62.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -159.66 31.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.92 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -140.81 153.74 45.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.556 HD13 ' H ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -89.38 138.22 31.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.556 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -76.34 166.84 41.82 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.15 143.02 52.35 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.539 2.159 . . . . 0.0 112.34 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.87 108.23 5.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.28 35.11 1.13 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.511 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.0 t -120.82 173.3 7.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.15 158.42 28.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.1 t -141.29 -47.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.448 ' CZ2' HG21 ' A' ' 25' ' ' THR . 24.4 t90 -159.78 80.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -84.02 136.32 34.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.448 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 26.4 p -153.9 -170.03 3.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.0 p -98.49 29.72 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.79 -40.99 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.3 p -163.74 -170.01 2.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 m -136.09 150.71 49.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -153.71 167.17 30.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -142.28 161.44 38.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.6 153.77 30.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.5 t -93.97 -35.49 12.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.42 -28.09 14.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -78.35 -32.81 49.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -149.56 162.12 40.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.6 t -72.25 -27.5 62.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -57.1 139.48 52.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.012 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.9 m -120.18 87.74 40.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -52.06 141.96 45.9 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.577 2.184 . . . . 0.0 112.269 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.3 p -85.32 57.3 4.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 57.4 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.808 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.809 0.338 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.23 153.28 22.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.44 172.01 13.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.26 -174.61 22.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -33.3 17.05 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.567 2.178 . . . . 0.0 112.249 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.2 t -98.06 37.48 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.17 134.88 54.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -97.79 85.57 3.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 63.9 -79.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.57 31.33 1.88 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -140.55 159.93 41.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mp -81.36 144.73 31.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.591 ' HD3' HG21 ' A' ' 20' ' ' THR . 38.1 mttt -85.47 162.56 47.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.3 136.6 40.78 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.535 2.156 . . . . 0.0 112.318 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.54 112.08 1.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.51 27.13 3.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.582 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.591 HG21 ' HD3' ' A' ' 16' ' ' LYS . 24.7 m -90.21 163.0 14.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.751 0.31 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.427 ' N ' HG22 ' A' ' 20' ' ' THR . 0.8 OUTLIER -101.48 95.52 6.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.921 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.0 p -91.27 -31.53 16.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -140.91 152.48 45.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -171.56 124.65 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.1 p -108.05 -77.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -177.58 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -87.26 -32.57 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 m -134.13 151.16 51.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.8 m -131.13 122.5 26.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 53.2 m170 -102.43 151.91 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -131.22 158.59 40.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.4 148.28 37.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.2 p -82.91 -35.56 26.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.56 -28.38 13.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -83.15 -33.25 26.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.349 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 p -142.6 163.72 32.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 36.1 m -72.13 -28.92 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.21 150.08 31.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -118.24 88.04 31.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -51.82 169.01 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.543 2.162 . . . . 0.0 112.344 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.2 m -98.2 35.91 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.1 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.86 0.362 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.59 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 60.59 107.63 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 p -106.01 150.64 25.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.36 165.42 12.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.556 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.64 -21.4 31.43 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.671 2.247 . . . . 0.0 112.527 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 39.0 m -96.65 32.87 1.95 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.102 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.3 p -177.71 140.73 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.949 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -145.78 165.08 29.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.814 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.1 pm0 44.42 31.06 0.54 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.452 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 64.5 77.64 0.31 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.95 136.42 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.49 HD21 ' O ' ' A' ' 35' ' ' ARG . 0.6 OUTLIER -84.86 126.45 33.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.5 ' HD3' HG21 ' A' ' 20' ' ' THR . 25.7 mttp -73.61 160.34 82.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.809 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.73 141.37 49.42 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.578 2.185 . . . . 0.0 112.274 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.528 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -57.42 100.45 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.94 -26.45 0.92 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.5 HG21 ' HD3' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -58.61 153.46 16.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.814 0.34 . . . . 0.0 110.947 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.604 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.7 OUTLIER -91.56 145.75 24.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.3 p -103.8 -38.19 7.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -106.7 -47.75 3.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.46 ' O ' HG23 ' A' ' 25' ' ' THR . 0.1 OUTLIER 57.59 105.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.947 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 24' ' ' ARG . 31.4 p -158.49 165.02 35.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -86.66 55.92 3.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 p -178.69 -38.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.0 m -103.7 -78.31 0.56 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.4 t 60.02 77.6 0.31 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.604 ' O ' HG22 ' A' ' 21' ' ' THR . 8.3 m80 -84.04 174.74 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -135.22 149.67 49.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.9 m -82.47 136.77 34.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.8 p -64.4 -30.31 71.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.528 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 96.5 -26.98 19.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.49 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -92.41 -30.75 15.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.318 . . . . 0.0 110.929 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -138.01 156.16 48.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.59 ' SG ' HG22 ' A' ' 5' ' ' THR . 67.5 m -72.55 -24.68 61.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.053 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.68 127.2 28.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.12 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.8 t -103.72 94.15 5.91 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.79 151.76 78.26 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.473 2.116 . . . . 0.0 112.333 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -60.64 -30.08 69.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.7 p -60.18 111.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.6 p -128.36 132.38 48.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.82 -156.63 22.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.93 -34.16 14.55 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.579 2.186 . . . . 0.0 112.283 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.68 -51.69 5.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.4 m -59.42 144.17 47.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.78 84.64 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 61.47 68.98 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.7 t 60.04 68.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -170.85 106.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -72.06 128.28 35.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -79.36 154.21 76.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.31 141.65 49.29 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.596 2.197 . . . . 0.0 112.303 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.69 110.74 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.25 34.77 1.17 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.4 m -98.25 149.84 22.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.797 HG21 ' CZ ' ' A' ' 24' ' ' ARG . 45.2 p -70.96 118.21 13.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.44 -33.19 21.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.586 ' CZ2' HG21 ' A' ' 25' ' ' THR . 4.8 t90 -137.48 100.19 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.797 ' CZ ' HG21 ' A' ' 21' ' ' THR . 0.7 OUTLIER -89.23 74.11 7.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.586 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 0.6 OUTLIER -111.62 -14.8 13.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.21 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.04 31.2 0.85 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.925 0.393 . . . . 0.0 110.656 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m -113.22 -31.06 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.171 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.1 p -164.37 -169.87 1.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.9 m -132.47 126.8 33.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -116.16 -39.36 3.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 61.58 153.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.67 139.66 37.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.656 HG23 ' HD3' ' A' ' 40' ' ' PRO . 57.1 p -60.77 -47.47 86.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.11 -37.71 3.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -33.08 64.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -136.05 166.67 22.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.07 -30.77 65.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -62.96 133.43 54.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.47 145.84 30.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.656 ' HD3' HG23 ' A' ' 33' ' ' THR . 52.4 Cg_exo -52.73 177.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.552 2.168 . . . . 0.0 112.298 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 t -146.06 31.59 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.5 t80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.9 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.847 0.356 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.6 p -69.3 109.91 4.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.6 p -131.86 134.29 45.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.19 -177.31 34.11 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.15 -39.13 71.77 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.568 2.179 . . . . 0.0 112.311 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.9 t -98.89 31.81 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 72.1 m -151.19 127.78 10.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.01 151.44 42.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 60.6 35.83 19.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 60.75 36.12 19.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -150.51 163.91 37.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.522 HD23 ' N ' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -85.55 148.0 26.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.522 ' N ' HD23 ' A' ' 15' ' ' LEU . 31.1 mttt -78.78 154.07 78.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.86 143.39 50.2 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.556 2.171 . . . . 0.0 112.254 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.73 92.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.7 -28.52 0.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.489 HG21 ' HE2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -60.55 161.24 7.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.347 . . . . 0.0 110.909 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.9 OUTLIER -106.25 124.71 50.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.36 -32.83 64.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -158.33 116.65 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -158.02 118.48 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 25' ' ' THR . 10.0 t -176.65 74.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.6 m 59.54 30.56 20.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 28' ' ' SER . 11.4 p -134.91 -44.84 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.485 ' N ' HG13 ' A' ' 27' ' ' VAL . 4.8 t -167.58 -171.79 1.74 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -143.88 84.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.532 ' O ' HG22 ' A' ' 21' ' ' THR . 59.5 m170 -81.66 -178.01 6.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -159.72 151.58 20.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.1 m -98.81 153.74 18.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.1 p -103.4 -31.43 10.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.415 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . 90.73 28.38 16.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.446 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.6 -32.99 6.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.56 172.29 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 72.7 m -72.26 -31.64 65.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -66.79 111.1 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.51 149.2 64.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.15 151.17 66.7 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.576 2.184 . . . . 0.0 112.296 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 p -105.36 33.75 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.784 0.326 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.5 82.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 m -108.85 153.07 24.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.57 -151.32 22.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.538 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.59 -37.76 6.8 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.56 2.173 . . . . 0.0 112.367 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.7 t -100.58 31.01 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.8 m -145.84 176.67 9.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.4 mtt-85 -157.33 131.21 8.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 62.63 -80.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -154.31 31.51 0.43 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -148.44 152.08 36.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.441 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -90.25 154.5 19.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -78.66 160.27 72.49 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.21 143.89 40.75 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.582 2.188 . . . . 0.0 112.309 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.434 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.29 117.49 4.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.14 28.3 3.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 21' ' ' THR . 8.0 m -91.27 164.7 13.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.822 0.344 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.402 ' N ' HG22 ' A' ' 20' ' ' THR . 0.8 OUTLIER -77.22 151.57 35.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 m -126.61 78.83 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.9 t90 60.68 106.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.21 139.97 53.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.575 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.7 OUTLIER -142.4 30.89 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.64 27.76 16.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.002 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 25' ' ' THR . 21.4 t -120.79 -39.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.15 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t -141.08 -171.45 3.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.12 154.25 49.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.415 ' CE1' ' HB3' ' A' ' 39' ' ' CYS . 4.5 t-160 -170.48 144.36 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -136.35 144.67 44.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 88.7 m -63.46 169.35 3.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.415 HG23 ' N ' ' A' ' 34' ' ' GLY . 10.0 t -93.16 -44.64 8.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.434 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 109.09 38.57 1.81 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.498 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -159.75 -44.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 p -128.99 164.96 22.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.06 -29.87 64.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -64.51 103.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.415 ' HB3' ' CE1' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -60.29 147.18 82.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.47 168.96 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.55 2.166 . . . . 0.0 112.293 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.5 m -102.53 -31.56 10.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 35.6 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.783 0.325 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.2 p -95.69 143.39 26.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 12' ' ' GLN . 20.1 p -130.39 129.92 43.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.788 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.99 -153.83 8.11 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.619 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -74.79 -38.89 1.51 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.65 2.233 . . . . 0.0 112.639 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.8 t -81.81 -74.1 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.035 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.3 p -53.63 148.98 8.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.125 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -168.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.577 ' O ' HG22 ' A' ' 6' ' ' THR . 1.9 tt0 -59.08 -31.28 68.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -160.22 35.62 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.31 114.02 7.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 15' ' ' LEU . 7.4 tp -60.57 137.27 58.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HD2' HG21 ' A' ' 20' ' ' THR . 17.2 mmtt -79.69 161.92 64.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.61 133.69 32.85 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.557 2.171 . . . . 0.0 112.306 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.621 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.83 110.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.065 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.57 36.12 2.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.412 HG21 ' HD2' ' A' ' 16' ' ' LYS . 12.4 t -125.23 164.38 20.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.815 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.9 142.23 54.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.13 -38.95 7.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.493 ' CH2' HG21 ' A' ' 25' ' ' THR . 37.0 t90 -176.14 66.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.6 ptt-85 -60.02 125.5 23.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.493 HG21 ' CH2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -110.63 -33.5 6.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 m -178.72 -38.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 28' ' ' SER . 12.4 p -150.98 -44.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.192 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.488 ' N ' HG13 ' A' ' 27' ' ' VAL . 41.5 t -59.5 126.02 25.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.1 m -130.21 140.08 50.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 45.5 m170 -110.06 -31.25 7.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 63.68 136.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.06 142.38 39.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.1 p -78.8 -41.9 29.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.621 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 105.33 -26.95 20.19 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.528 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.31 -30.31 15.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.9 t -148.19 161.2 41.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.02 -27.27 62.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.054 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.76 98.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.974 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 89.9 m -76.86 149.15 80.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.32 177.4 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.556 2.171 . . . . 0.0 112.296 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -134.15 34.28 3.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.0 t80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.857 0.36 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 p -60.31 159.7 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.74 141.17 26.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.37 -162.84 33.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.82 -36.44 10.64 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.614 2.21 . . . . 0.0 112.312 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.1 t -97.97 37.01 1.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.82 127.61 55.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -99.42 94.96 6.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.89 -79.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.51 37.48 0.83 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.72 136.29 24.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.587 HD11 ' CA ' ' A' ' 36' ' ' SER . 2.1 tt -68.75 121.82 17.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -60.16 148.49 78.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.5 136.3 56.49 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.546 2.164 . . . . 0.0 112.313 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.408 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.93 103.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.65 -26.16 2.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.568 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -58.68 147.9 31.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.2 p -60.39 154.73 19.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.43 -51.17 2.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -163.25 78.0 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -110.46 121.24 44.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.86 -36.24 9.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -178.51 -39.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -118.33 -37.61 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.197 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.4 p -60.01 163.56 4.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 m -164.22 124.32 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -126.07 -46.3 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 60.74 157.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.96 172.24 13.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -112.03 -37.38 5.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.408 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 96.49 -30.36 8.89 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.561 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 mtm-85 -72.15 -31.96 66.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.587 ' CA ' HD11 ' A' ' 15' ' ' LEU . 29.7 t -159.24 169.75 23.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.5 m -72.1 -30.73 65.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.17 134.82 54.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.6 147.88 38.85 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.46 172.2 0.17 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.581 2.187 . . . . 0.0 112.293 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -101.73 -31.11 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.9 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.788 0.328 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 t -88.31 141.96 28.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.69 157.41 43.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.64 -168.57 24.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.93 -38.67 1.15 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.647 2.232 . . . . 0.0 112.59 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.94 55.51 3.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.094 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.9 p 179.97 142.32 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -114.35 144.75 42.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 62.57 -80.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.47 37.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -145.77 143.02 29.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.0 pp -60.14 158.01 12.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.476 ' O ' HD12 ' A' ' 15' ' ' LEU . 29.1 mttt -87.09 162.42 43.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.76 144.64 54.69 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.611 2.207 . . . . 0.0 112.307 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.86 108.35 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.61 -27.34 2.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -59.6 157.03 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.48 HG22 ' CD1' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -103.26 134.45 46.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 87.0 m -60.3 -73.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.497 ' CZ2' HG21 ' A' ' 25' ' ' THR . 13.7 t90 -122.22 118.07 27.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -102.4 113.06 26.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.497 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 1.0 OUTLIER -133.32 32.08 3.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.0 m 60.73 32.11 20.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.61 -38.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.2 m -88.11 149.73 23.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 20.9 p -176.56 110.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -99.94 -32.03 11.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.48 ' CD1' HG22 ' A' ' 21' ' ' THR . 24.6 m-85 61.32 154.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -118.27 148.91 41.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 t -77.71 -30.93 52.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.26 27.17 7.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.554 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.69 -33.44 6.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.34 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 96.6 p -155.06 172.22 18.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.3 t -75.45 -29.62 59.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -58.56 109.53 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.6 m -60.61 149.77 77.47 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.31 177.44 5.96 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.589 2.193 . . . . 0.0 112.289 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.4 m -125.85 35.55 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.24 132.74 54.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.44 163.72 12.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.09 162.57 9.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.23 -35.29 62.85 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.577 2.184 . . . . 0.0 112.311 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.3 t -70.49 -39.52 74.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m -76.81 129.63 36.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.71 115.32 30.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 63.93 -79.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.9 t -156.19 68.92 0.62 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -170.53 150.64 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.594 HD11 ' C ' ' A' ' 35' ' ' ARG . 2.2 tt -89.98 118.73 29.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.423 ' O ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.78 149.16 85.91 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.35 143.58 43.19 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.569 2.179 . . . . 0.0 112.282 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.79 121.89 12.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.07 28.28 4.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.417 HG21 ' HD3' ' A' ' 16' ' ' LYS . 11.8 m -104.94 143.85 32.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.08 131.96 45.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.77 -52.36 65.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -157.03 79.63 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.553 ' O ' HG23 ' A' ' 25' ' ' THR . 4.1 ttt85 -65.0 125.13 23.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 24' ' ' ARG . 11.3 p -160.61 -78.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.2 p -177.99 -39.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -79.77 -32.69 14.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 t -113.55 175.54 5.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.75 36.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -69.2 -178.03 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -145.99 147.98 32.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.94 171.51 14.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 p -106.98 -67.35 0.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.525 ' O ' HD22 ' A' ' 15' ' ' LEU . . . 143.08 -36.56 1.58 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.524 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.594 ' C ' HD11 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -93.96 -31.31 14.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.902 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.7 m -128.29 172.59 10.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 m -122.45 29.38 6.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -98.33 103.46 15.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.37 110.0 2.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.44 172.8 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.464 2.109 . . . . 0.0 112.291 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.3 t -111.59 31.68 5.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.576 ' O ' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.837 0.351 . . . . 0.0 110.877 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.9 p -60.79 108.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 4' ' ' CYS . 2.4 t -153.55 138.6 17.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.49 -150.42 22.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.556 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.18 -59.92 0.93 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.596 2.198 . . . . 0.0 112.318 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 t -98.42 35.69 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 99.1 m -150.72 123.08 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -105.16 111.85 24.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 63.72 -80.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.2 m -147.72 36.38 0.87 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -137.64 136.42 37.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 16' ' ' LYS . 1.8 tt -97.63 123.84 41.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.504 ' O ' HD23 ' A' ' 15' ' ' LEU . 8.3 mttm -61.29 149.64 82.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.33 143.26 44.21 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.56 2.173 . . . . 0.0 112.288 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.765 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -60.7 108.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.45 -29.39 2.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.7 m -60.4 140.48 57.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.407 HG22 ' CD2' ' A' ' 31' ' ' TYR . 18.7 p -75.27 104.24 5.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.1 p -74.29 -31.56 62.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.4 t90 -134.33 121.37 21.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.707 ' O ' HG23 ' A' ' 25' ' ' THR . 6.4 ptt-85 -148.97 170.06 19.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 24' ' ' ARG . 0.7 OUTLIER -169.99 -42.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -172.25 -77.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.4 -31.23 4.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.6 p -90.89 118.86 30.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.38 113.85 9.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -106.38 121.51 44.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.407 ' CD2' HG22 ' A' ' 21' ' ' THR . 38.8 m-85 -86.91 172.11 10.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.21 172.31 10.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -103.24 -41.17 6.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.765 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 101.75 32.76 4.96 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.503 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -156.81 -45.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.0 m -129.71 167.82 17.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.1 m -72.28 -31.25 65.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -65.26 115.43 5.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.1 m -82.85 149.7 60.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.84 172.76 12.13 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.591 2.194 . . . . 0.0 112.351 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.9 t -107.05 33.11 4.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.719 ' O ' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.84 0.352 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.2 p -60.39 91.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.719 HG22 ' O ' ' A' ' 4' ' ' CYS . 1.4 t -142.01 131.16 23.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.17 -150.07 9.2 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.87 -54.01 6.03 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.621 2.214 . . . . 0.0 112.323 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.5 m -81.05 -56.47 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.1 m -59.87 144.03 49.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -125.03 -74.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -91.32 55.97 2.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m 59.45 31.14 20.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -128.24 158.4 38.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.648 HD13 ' O ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -107.67 114.79 29.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -59.95 162.98 8.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -68.52 145.25 63.89 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.574 2.183 . . . . 0.0 112.278 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.04 101.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.21 -28.31 0.99 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.3 172.31 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.18 134.13 47.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.7 p -86.76 -39.38 16.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -141.42 112.1 7.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -108.32 113.59 26.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.21 -177.28 5.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.1 t -98.73 30.32 3.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.97 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 m -127.06 -43.23 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -155.79 -176.21 5.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -149.79 150.98 32.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 31' ' ' TYR . 9.4 m80 -142.26 174.2 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 30' ' ' HIS . 23.9 m-85 -151.03 127.51 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 m -65.27 172.28 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.7 p -105.5 -31.26 9.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.648 ' O ' HD13 ' A' ' 15' ' ' LEU . . . 111.08 -27.99 10.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -31.53 53.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m -136.74 168.64 19.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 80.9 m -72.25 -31.64 65.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -65.53 164.45 14.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.0 p -130.1 54.31 14.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.29 106.35 1.74 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.563 2.175 . . . . 0.0 112.293 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.91 31.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.3 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.835 0.35 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.2 p -82.7 110.22 17.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.4 p -130.93 149.01 52.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.64 -150.96 23.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.17 -35.76 10.88 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.607 2.205 . . . . 0.0 112.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 t -98.8 31.06 3.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.46 ' SG ' HD22 ' A' ' 15' ' ' LEU . 39.5 m -141.95 149.05 39.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.2 mtm-85 -92.22 -83.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -111.75 -27.75 8.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.792 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.7 t 179.94 38.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 pttm -144.31 172.66 12.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.99 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.51 HD21 ' C ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -105.92 126.38 52.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -60.41 148.71 79.46 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.51 143.1 46.58 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.601 2.2 . . . . 0.0 112.261 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.78 139.08 57.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.85 -26.99 21.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.6 m -59.19 130.79 48.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 p -60.2 159.47 9.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.24 -66.91 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.748 ' CZ2' HG21 ' A' ' 25' ' ' THR . 9.6 t90 -132.63 145.49 51.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.558 ' O ' HG23 ' A' ' 25' ' ' THR . 0.7 OUTLIER -128.5 126.51 40.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.961 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.748 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -163.69 31.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m 59.66 64.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -178.7 -38.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.1 t -162.0 132.56 4.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.84 -33.16 7.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.5 m80 59.96 -176.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -156.92 120.04 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.39 136.78 58.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.471 HG23 ' H ' ' A' ' 35' ' ' ARG . 8.8 t -66.89 -30.85 71.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.82 27.76 25.66 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.556 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.471 ' H ' HG23 ' A' ' 33' ' ' THR . 4.4 ttt180 -135.48 -45.91 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.957 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.51 ' C ' HD21 ' A' ' 15' ' ' LEU . 2.0 m -128.66 158.49 38.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.478 ' N ' HD21 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -72.39 -26.04 61.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.022 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -57.32 135.23 56.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.023 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.9 90.43 15.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.59 170.93 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.541 2.161 . . . . 0.0 112.39 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.3 m -114.75 70.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.82 0.343 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.783 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 62.17 117.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.4 m -148.02 154.43 40.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.46 -175.09 43.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.538 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.25 -45.3 40.27 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.615 2.21 . . . . 0.0 112.316 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 t -97.36 39.44 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.0 m -144.56 118.26 9.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -77.71 102.79 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 63.94 -79.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -141.83 31.64 1.62 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.09 156.53 42.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.485 HD11 ' N ' ' A' ' 36' ' ' SER . 0.9 OUTLIER -100.43 126.15 46.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -60.96 156.29 48.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.6 143.88 53.08 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.523 2.149 . . . . 0.0 112.314 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.51 110.81 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.066 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.09 -28.52 2.92 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.62 172.27 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 p -86.93 174.57 8.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.7 t -129.91 -46.07 1.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -131.86 92.83 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.7 111.75 22.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.8 p -153.31 -169.8 3.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -108.77 67.1 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.42 -38.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.03 151.48 31.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -133.57 116.27 15.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -97.18 175.12 6.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -134.56 160.37 38.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.45 142.91 32.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.548 HG23 ' H ' ' A' ' 35' ' ' ARG . 9.6 t -95.9 -34.75 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.64 28.09 22.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.525 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.548 ' H ' HG23 ' A' ' 33' ' ' THR . 31.1 ttm-85 -109.8 -33.43 6.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.485 ' N ' HD11 ' A' ' 15' ' ' LEU . 2.0 t -162.65 168.17 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.783 ' SG ' HG22 ' A' ' 5' ' ' THR . 70.7 m -71.98 -29.63 64.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -62.41 103.81 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.25 147.78 57.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.46 174.35 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.589 2.193 . . . . 0.0 112.309 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.2 t -131.49 31.67 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.4 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.821 0.343 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.49 172.56 6.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.46 138.32 52.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.97 169.86 22.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.545 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.12 -20.93 48.56 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.683 2.255 . . . . 0.0 112.612 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.87 41.26 1.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.21 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.8 p -179.44 124.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -105.84 107.82 19.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.8 59.65 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 65.4 m 59.78 34.02 21.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.84 84.68 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.528 ' O ' HD12 ' A' ' 15' ' ' LEU . 3.2 pp -63.61 131.18 47.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.8 163.8 6.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.05 145.76 68.51 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.569 2.179 . . . . 0.0 112.282 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.19 132.72 53.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.165 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.04 -28.26 9.99 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.527 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.0 m -62.91 122.96 17.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 t -60.6 117.59 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 80.0 m -60.26 -31.49 70.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -168.58 99.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.608 ' O ' HG23 ' A' ' 25' ' ' THR . 13.6 ttp180 -91.62 167.64 12.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 24' ' ' ARG . 1.6 p -162.78 -77.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.41 -39.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.947 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 p -106.13 -31.23 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.4 p -108.13 154.39 21.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 t -159.43 132.35 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -143.22 130.73 21.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -110.73 148.63 31.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.52 172.22 8.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 t -100.08 -31.26 11.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.99 27.72 13.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -135.78 -46.22 0.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.968 0.413 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -136.17 166.32 23.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.826 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.1 m -72.35 -28.13 62.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -56.88 96.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.968 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.6 t -106.15 88.14 2.94 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.96 177.01 5.43 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.537 2.158 . . . . 0.0 112.343 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 p -97.05 61.99 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.919 0.39 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.406 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 61.25 113.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.933 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.1 p -129.71 151.98 49.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.33 179.92 35.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.84 -26.14 19.33 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.639 2.226 . . . . 0.0 112.423 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -94.09 45.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 p -177.47 164.94 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -101.23 -169.43 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.65 89.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.026 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 63.08 58.15 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -176.5 118.74 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -81.51 137.57 35.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.598 ' HD3' HG21 ' A' ' 20' ' ' THR . 13.8 mttm -73.6 162.16 75.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.25 144.74 37.86 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.604 2.203 . . . . 0.0 112.369 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.49 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -60.47 126.03 25.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.9 33.62 5.73 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.522 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.598 HG21 ' HD3' ' A' ' 16' ' ' LYS . 70.0 m -99.18 115.67 29.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.22 114.21 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.8 p -118.08 -40.65 2.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -116.16 127.54 54.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -177.01 111.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 p -97.43 -36.55 10.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -178.32 -39.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -116.05 -36.32 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.131 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 t -64.03 89.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -97.33 78.21 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.401 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 1.5 m-70 -95.18 179.22 5.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 30' ' ' HIS . 46.9 m-85 -147.82 150.9 35.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.07 146.13 44.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 38' ' ' GLU . 53.5 p -60.28 -39.68 87.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.533 ' O ' HD12 ' A' ' 15' ' ' LEU . . . 96.57 -28.39 13.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.491 ' C ' HD13 ' A' ' 15' ' ' LEU . 10.8 ttp85 -114.69 -34.82 5.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.767 0.318 . . . . 0.0 110.984 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 m -111.0 172.69 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.001 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.406 ' SG ' HG22 ' A' ' 5' ' ' THR . 4.2 m -83.53 -24.59 31.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.666 ' O ' HG23 ' A' ' 33' ' ' THR . 3.7 mt-10 -56.46 131.48 48.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.051 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.412 ' CB ' ' CD ' ' A' ' 40' ' ' PRO . 1.3 m -72.82 -60.89 1.76 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 39' ' ' CYS . 57.3 Cg_endo -71.13 139.88 36.46 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.508 2.139 . . . . 0.0 112.361 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.562 ' OG ' HG22 ' A' ' 33' ' ' THR . 88.1 p -177.37 80.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.865 0.364 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.34 89.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.2 p -107.59 126.48 52.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.51 -176.08 38.04 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.78 -29.5 15.52 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.579 2.186 . . . . 0.0 112.372 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.5 t -98.37 31.04 2.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.8 p -173.38 109.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.37 135.26 52.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 60.26 41.28 16.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.8 t 61.19 35.66 18.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -135.06 100.66 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.32 138.06 56.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.63 142.97 97.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.43 145.84 44.4 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.482 2.121 . . . . 0.0 112.283 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.82 112.6 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.68 -28.17 1.31 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.27 173.58 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.814 0.34 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.6 OUTLIER -104.92 108.36 19.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -179.92 41.68 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.259 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.422 ' CD2' HG23 ' A' ' 33' ' ' THR . 81.9 t90 -177.23 122.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.166 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -126.32 149.49 49.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.754 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.89 -78.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.75 -42.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.0 m -71.79 -30.79 39.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.043 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.62 155.33 39.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.787 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -60.01 -79.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.65 ' O ' HG22 ' A' ' 21' ' ' THR . 70.8 t60 -158.43 72.95 0.63 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.627 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -122.54 129.95 52.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.06 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.11 129.41 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.422 HG23 ' CD2' ' A' ' 23' ' ' TRP . 15.8 p -63.15 -29.47 70.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.42 26.42 54.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.526 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -123.33 -41.29 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.372 . . . . 0.0 111.051 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 p -120.96 151.95 39.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.9 m -73.34 -21.47 60.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.72 133.68 47.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.844 0.354 . . . . 0.0 111.03 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.3 t -131.64 92.02 32.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -48.75 131.49 24.6 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.548 2.165 . . . . 0.0 112.36 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -31.85 68.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.066 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.801 0.334 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.595 HG21 ' OG ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -101.06 158.36 16.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.17 136.41 22.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.56 -162.0 34.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.07 -30.36 20.97 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.616 2.21 . . . . 0.0 112.293 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.12 36.28 1.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.34 162.95 14.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -170.41 106.41 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? 60.39 46.68 9.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 61.34 31.45 19.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.03 168.47 19.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.512 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -93.83 140.67 29.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -67.49 165.87 26.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.21 144.56 75.4 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.599 2.199 . . . . 0.0 112.275 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.75 113.5 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.061 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.4 24.86 4.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.615 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 21' ' ' THR . 11.0 m -94.5 164.43 12.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.414 ' N ' HG22 ' A' ' 20' ' ' THR . 0.6 OUTLIER -96.59 106.08 18.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.35 -68.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.443 ' CE3' ' CG2' ' A' ' 25' ' ' THR . 0.3 OUTLIER -110.89 179.14 4.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -148.76 108.83 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.443 ' CG2' ' CE3' ' A' ' 23' ' ' TRP . 28.4 p -131.66 -171.3 2.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.4 p -99.16 30.78 3.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.616 HG22 ' O ' ' A' ' 27' ' ' VAL . 14.8 p -177.78 38.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -177.31 146.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.1 p -111.0 -33.81 6.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 59.64 95.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -106.35 109.21 21.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.34 161.19 7.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 p -95.96 -41.73 8.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.0 28.11 7.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -110.62 -33.09 6.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.595 ' OG ' HG21 ' A' ' 5' ' ' THR . 3.0 t -148.19 172.04 14.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.1 m -72.65 -31.36 65.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -74.8 145.26 43.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.5 m -100.47 152.93 37.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.32 177.52 5.88 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.539 2.159 . . . . 0.0 112.282 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.4 p -121.55 34.92 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.3 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.817 0.342 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.585 HG21 ' H ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -60.75 154.03 22.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -136.23 135.77 39.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.69 178.04 33.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.479 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -78.92 56.11 5.86 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.687 2.258 . . . . 0.0 112.537 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -171.93 33.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.068 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -176.95 -175.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -108.41 -167.85 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -59.06 -30.84 68.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.3 m -160.26 40.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -158.22 120.2 3.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.561 HD11 ' CA ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -78.7 137.2 37.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -67.01 148.17 98.94 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.91 142.55 52.25 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.516 2.144 . . . . 0.0 112.294 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.33 101.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.84 -27.31 0.93 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.543 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.6 159.28 8.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.814 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -110.39 134.15 52.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.5 p -99.09 -40.91 7.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -133.13 114.85 14.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.52 99.33 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.7 p -74.84 -34.12 62.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.01 -39.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 28' ' ' SER . 11.2 p -123.38 -41.37 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.175 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.429 ' N ' HG13 ' A' ' 27' ' ' VAL . 13.6 m -60.8 157.09 15.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.941 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.409 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 10.0 p -176.6 103.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -70.61 -38.87 74.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.814 ' CE2' HG23 ' A' ' 21' ' ' THR . 32.1 m-85 60.76 157.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -117.62 126.84 53.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 p -64.51 -29.73 70.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.12 25.99 6.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -114.19 -35.87 4.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.561 ' CA ' HD11 ' A' ' 15' ' ' LEU . 24.4 t -147.55 162.92 38.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.585 ' H ' HG21 ' A' ' 5' ' ' THR . 1.8 t -71.91 -28.47 63.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.961 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.52 128.15 34.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.37 149.21 36.94 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.37 129.73 17.43 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.554 2.17 . . . . 0.0 112.328 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -67.81 -31.61 71.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.704 ' O ' HG23 ' A' ' 5' ' ' THR . 6.3 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.847 0.356 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.704 HG23 ' O ' ' A' ' 4' ' ' CYS . 0.6 OUTLIER -173.13 100.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.3 p -128.11 121.39 29.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.61 -173.56 37.17 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.546 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.95 -27.28 17.68 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.6 2.2 . . . . 0.0 112.416 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.2 t -98.33 32.59 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.3 p -177.0 138.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -149.32 140.51 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 60.84 42.21 13.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.4 t 61.28 37.49 17.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -148.49 124.48 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.587 HD23 ' H ' ' A' ' 15' ' ' LEU . 1.1 pt? -67.75 148.2 51.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -69.43 159.57 82.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.59 144.33 54.57 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.583 2.189 . . . . 0.0 112.286 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.04 98.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 150.2 -28.25 1.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.433 HG22 ' H ' ' A' ' 21' ' ' THR . 0.4 OUTLIER -63.12 172.31 1.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.919 -179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.85 HG22 ' O ' ' A' ' 30' ' ' HIS . 2.0 p -101.14 148.18 25.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.7 t -90.34 -70.59 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.647 ' CZ2' HG21 ' A' ' 25' ' ' THR . 1.8 t90 -93.22 91.81 7.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.7 tpp85 -81.9 77.48 8.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.647 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 0.6 OUTLIER -105.3 -16.52 14.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.18 179.957 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 t 75.06 31.87 0.81 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.895 0.379 . . . . 0.0 110.623 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 m -113.32 -32.85 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.49 -169.97 3.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.1 m -119.07 102.29 8.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.85 ' O ' HG22 ' A' ' 21' ' ' THR . 23.0 m170 -119.96 164.12 16.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -157.13 159.62 37.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -97.14 152.28 18.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.0 p -76.75 -47.93 20.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.68 25.17 4.68 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.584 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.7 mtm-85 -113.31 -34.85 5.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 t -155.12 172.36 18.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.5 t -72.07 -31.17 65.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.44 84.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.8 p -59.98 149.57 73.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.21 174.97 9.11 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.572 2.181 . . . . 0.0 112.313 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -117.39 31.83 6.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.978 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.818 0.342 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.3 p -60.45 117.36 5.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 t -132.03 149.55 52.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.7 -149.18 14.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.534 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.2 -46.67 0.97 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.626 2.217 . . . . 0.0 112.42 -179.859 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.668 ' SG ' HD21 ' A' ' 15' ' ' LEU . 26.2 t -87.03 5.84 35.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.465 -179.889 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.9 m -125.7 165.46 18.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.816 0.341 . . . . 0.0 110.795 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 -87.64 -79.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.774 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -152.82 21.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 179.834 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.0 t 178.51 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -120.14 151.38 39.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.967 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 16' ' ' LYS . 4.5 tt -85.27 155.98 21.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.905 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.687 ' O ' HD23 ' A' ' 15' ' ' LEU . 17.8 mttt -72.75 162.8 72.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.01 143.26 41.17 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.488 2.125 . . . . 0.0 112.323 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.41 128.33 33.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.217 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.89 -25.18 7.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.847 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -58.36 154.84 12.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.349 . . . . 0.0 110.948 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -89.7 123.06 33.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.46 -43.65 96.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 26.2 t90 -158.71 79.86 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -60.69 136.06 57.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.4 p -156.2 -174.15 4.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.2 m -107.98 66.82 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 p -177.98 -38.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 t -165.53 167.04 17.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.26 150.18 48.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -106.53 -32.17 8.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.978 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 60.47 172.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 91.5 m -125.32 161.12 27.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -116.39 -39.11 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.69 32.11 5.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.5 mtt85 -123.71 -43.25 2.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.15 157.02 42.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.821 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.435 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -71.26 -25.88 62.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.24 86.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.807 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.8 m -58.8 147.8 70.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.26 177.26 6.81 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.57 2.18 . . . . 0.0 112.354 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p -134.68 31.63 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.991 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.819 0.343 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.23 85.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.1 p -121.76 134.11 54.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.76 -168.84 40.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.616 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -57.38 -26.35 70.44 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.723 2.282 . . . . 0.0 112.531 -179.823 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.47 -49.81 5.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.917 0.389 . . . . 0.0 110.925 -179.885 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.9 m -66.94 154.39 41.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.804 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.5 -80.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 33.1 tt0 -112.6 -28.26 7.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.671 179.78 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 34.9 t 179.4 37.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -137.17 132.28 33.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.722 HD21 ' O ' ' A' ' 36' ' ' SER . 0.5 OUTLIER -82.3 117.87 22.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -58.33 155.22 28.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.41 145.06 63.88 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.572 2.181 . . . . 0.0 112.332 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.15 140.34 53.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.157 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.87 -28.32 16.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.0 m -63.63 150.86 43.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.704 HG21 ' NE ' ' A' ' 24' ' ' ARG . 10.8 p -80.4 111.13 16.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.4 t -60.29 -31.67 70.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -167.89 83.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.704 ' NE ' HG21 ' A' ' 21' ' ' THR . 21.9 ttm180 -107.63 112.56 25.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.7 p -98.23 -36.25 10.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -178.49 -39.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.53 -41.11 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.184 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.3 t -75.29 76.41 2.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.27 97.64 11.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -84.68 -178.34 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -143.27 126.37 16.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.55 150.23 48.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 p -76.24 -62.3 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.43 -27.66 7.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.35 -31.49 10.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.344 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.722 ' O ' HD21 ' A' ' 15' ' ' LEU . 5.2 p -126.91 172.46 10.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.8 t -106.51 18.91 21.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -87.52 130.87 34.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -129.47 87.85 51.96 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.16 177.66 4.95 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.585 2.19 . . . . 0.0 112.304 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.61 45.35 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.996 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.8 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.84 0.352 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.901 HG22 ' HB2' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 60.91 75.83 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.962 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.06 148.99 22.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.02 159.02 16.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.527 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.96 -26.42 40.26 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.668 2.246 . . . . 0.0 112.381 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.4 t -72.37 -59.59 2.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.3 m -59.18 152.91 19.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -98.11 -70.48 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -122.8 71.58 1.04 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.8 t 59.82 31.3 20.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -133.07 129.7 38.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.41 HD21 ' N ' ' A' ' 37' ' ' CYS . 10.7 mt -69.86 130.07 41.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -72.79 149.44 90.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.51 137.65 57.57 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.583 2.189 . . . . 0.0 112.331 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.05 90.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.084 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.95 -28.24 1.27 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 21' ' ' THR . 18.3 m -60.23 163.43 4.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.419 HG22 ' CD2' ' A' ' 31' ' ' TYR . 5.6 p -101.43 137.48 39.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.7 p -109.51 -40.43 4.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -97.33 128.31 44.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.698 ' O ' HG23 ' A' ' 25' ' ' THR . 10.2 ttt85 -135.13 116.46 14.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -168.19 -179.14 3.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.933 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.5 t -98.83 31.36 2.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -111.19 -32.94 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 t -176.72 -170.13 0.31 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 t -137.36 127.07 25.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -130.69 173.69 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.419 ' CD2' HG22 ' A' ' 21' ' ' THR . 80.7 m-85 -146.67 138.73 24.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.11 130.67 43.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.2 p -60.33 -37.3 80.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.57 -28.56 12.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -72.44 -31.64 65.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.838 0.351 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -136.98 166.13 24.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.901 ' HB2' HG22 ' A' ' 5' ' ' THR . 6.2 t -72.03 -30.53 65.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.7 162.6 6.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -128.32 88.31 52.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -69.07 163.92 35.87 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.558 2.172 . . . . 0.0 112.314 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.9 p -94.63 45.81 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.98 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.0 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.8 0.333 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.4 p -90.45 130.87 36.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.0 p -132.28 158.93 40.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.27 -178.61 40.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.05 -29.45 22.44 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.606 2.204 . . . . 0.0 112.32 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.2 t -74.57 -59.68 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.0 p -77.07 167.15 22.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.89 124.75 28.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 63.84 -79.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -160.33 76.34 0.6 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -170.2 100.04 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.57 120.3 10.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -66.86 151.42 96.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.24 142.57 45.74 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.58 2.187 . . . . 0.0 112.319 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.11 118.24 6.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.22 28.42 5.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.567 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.9 m -108.55 142.64 38.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 p -69.98 121.7 17.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.2 p -103.91 -43.38 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -106.47 122.14 45.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -156.26 90.36 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.4 t -86.27 -36.49 19.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.3 p -177.08 -40.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 p -119.52 -38.79 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.2 m -62.68 157.46 20.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.2 m -170.7 78.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -92.3 138.55 31.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -78.97 172.24 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -95.31 143.28 26.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.816 HG23 ' HD3' ' A' ' 40' ' ' PRO . 1.7 p -60.3 -41.09 92.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.03 -29.17 11.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -94.77 -32.94 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.7 t -133.82 168.76 18.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.9 m -72.21 -31.64 66.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -64.46 146.15 54.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 m -106.24 149.65 38.45 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.816 ' HD3' HG23 ' A' ' 33' ' ' THR . 56.2 Cg_endo -70.27 146.49 57.21 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.586 2.191 . . . . 0.0 112.338 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.2 t -88.05 -31.41 19.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.6 p90 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.96 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.843 0.354 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.856 HG22 ' HB2' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 64.96 109.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.977 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.1 p -131.77 128.57 39.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.793 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.48 -159.95 22.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.618 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -55.99 -62.63 0.23 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.703 2.269 . . . . 0.0 112.472 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.56 -80.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.8 p -50.68 127.02 17.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.49 -75.22 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.876 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -91.29 50.29 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.3 m 59.38 31.18 20.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -127.41 106.24 9.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 tp -59.93 118.61 6.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 149.39 97.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.26 144.4 39.24 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.53 2.154 . . . . 0.0 112.357 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 33' ' ' THR . . . -57.81 98.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.94 -27.79 0.4 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.9 156.41 14.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.57 154.33 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.46 -66.41 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -128.15 78.63 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -105.2 80.35 1.59 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 t -74.93 -35.54 62.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 p -178.45 -39.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 28' ' ' SER . 11.3 p -125.05 -41.89 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.217 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.437 ' N ' HG13 ' A' ' 27' ' ' VAL . 2.0 m -60.23 166.24 3.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 60.7 p -176.5 94.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -84.53 -31.76 24.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 29' ' ' SER . 52.3 m-85 60.62 171.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 m -129.75 127.86 41.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.435 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 4.5 t -71.51 -30.43 65.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.41 27.65 7.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -111.71 -33.86 6.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.0 t -160.51 162.26 32.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.856 ' HB2' HG22 ' A' ' 5' ' ' THR . 0.6 OUTLIER -72.05 -26.82 62.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.992 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.47 114.58 2.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.965 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.66 87.28 2.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.6 167.33 24.55 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.583 2.188 . . . . 0.0 112.317 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 t -85.69 57.14 4.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.853 0.358 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.831 HG21 ' HB2' ' A' ' 15' ' ' LEU . 0.2 OUTLIER 60.41 107.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.87 150.07 30.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.76 -150.68 22.97 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.517 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.23 -45.39 0.88 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.646 2.231 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.03 39.44 1.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 91.9 m -128.16 178.8 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -150.31 -167.54 2.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -62.23 83.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 t 59.92 36.63 21.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.88 116.64 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.831 ' HB2' HG21 ' A' ' 5' ' ' THR . 4.6 tt -70.11 148.96 48.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.62 ' N ' HD23 ' A' ' 15' ' ' LEU . 29.8 mmtp -67.76 155.4 91.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.44 144.45 55.8 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.542 2.162 . . . . 0.0 112.296 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.501 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -58.82 134.92 57.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.59 -28.38 11.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.56 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.4 m -62.15 126.33 26.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -62.57 135.02 57.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.4 m -65.27 -53.84 38.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -102.7 -36.91 8.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.41 72.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.465 HG22 ' H ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -115.34 -173.85 2.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.465 ' H ' HG22 ' A' ' 25' ' ' THR . 26.3 t -64.05 -31.3 72.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 27' ' ' VAL . 11.5 p -160.12 50.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 m -146.88 36.17 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.837 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.3 m -71.22 118.91 14.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -98.33 -31.28 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 63.05 121.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.07 158.22 11.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.405 HG23 ' HG2' ' A' ' 35' ' ' ARG . 9.8 t -81.29 -41.3 22.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.501 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 98.59 40.38 3.42 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.539 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.405 ' HG2' HG23 ' A' ' 33' ' ' THR . 8.7 ptm180 -171.51 -41.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.965 0.412 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.51 ' C ' HD11 ' A' ' 15' ' ' LEU . 44.1 t -133.69 165.18 25.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -29.97 64.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.38 95.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.9 m -60.05 150.19 71.22 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.36 176.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.596 2.197 . . . . 0.0 112.295 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 m -109.54 -28.67 8.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.935 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.2 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.857 0.361 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.853 HG21 HD12 ' A' ' 15' ' ' LEU . 0.5 OUTLIER 60.41 106.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m -124.84 148.82 48.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.65 -157.63 27.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.9 -31.86 19.09 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.52 2.147 . . . . 0.0 112.325 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.92 31.05 3.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.7 m -136.46 115.98 12.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -97.53 82.67 3.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 60.87 70.96 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 59.95 35.66 21.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -147.02 101.82 3.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.853 HD12 HG21 ' A' ' 5' ' ' THR . 0.8 OUTLIER -62.59 143.85 56.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.432 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -79.35 151.25 74.9 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.03 143.54 40.34 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.594 2.196 . . . . 0.0 112.348 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 126.2 26.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.92 28.53 9.96 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.8 m -105.4 144.22 32.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.41 120.39 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.0 m -69.81 -52.07 28.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -130.74 97.88 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -88.02 130.28 35.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.2 p -149.95 -78.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.0 t -177.63 -39.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -87.18 -31.41 5.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.09 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.0 m -137.41 176.57 8.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.41 -44.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.0 m170 60.4 -177.41 0.1 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -146.75 120.39 9.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.81 169.29 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 t -99.94 -36.34 9.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.78 -29.07 11.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.449 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.7 mmm-85 -73.36 -32.88 64.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.411 ' C ' HD11 ' A' ' 15' ' ' LEU . 73.2 p -144.55 166.76 24.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.11 -30.43 65.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.28 117.92 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.3 t -85.92 136.87 35.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -52.08 141.03 48.98 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.437 2.091 . . . . 0.0 112.351 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.57 36.07 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.2 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.802 0.334 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.642 HG21 HD12 ' A' ' 15' ' ' LEU . 4.2 p -59.77 120.92 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m -128.45 148.92 50.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.86 -169.41 25.63 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.493 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.32 -34.95 72.8 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.59 2.193 . . . . 0.0 112.352 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.16 28.91 3.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.007 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.9 m -147.38 130.97 16.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -108.96 111.27 22.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.797 179.935 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 64.15 -79.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.4 t -147.16 36.9 0.93 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -143.72 141.16 30.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.642 HD12 HG21 ' A' ' 5' ' ' THR . 0.8 OUTLIER -88.1 138.35 31.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' N ' HD23 ' A' ' 15' ' ' LEU . 20.4 mmtt -60.32 155.07 49.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.39 144.39 55.82 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.545 2.163 . . . . 0.0 112.331 179.956 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.71 137.38 57.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.0 -28.22 14.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.2 m -60.06 133.14 55.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.954 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.6 p -78.68 133.37 37.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.17 -31.64 72.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -168.45 127.76 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.4 ttt-85 -134.57 100.55 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.05 -33.12 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -176.44 -77.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.59 -32.34 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.119 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.27 79.63 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.7 m -104.89 114.39 28.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -97.08 169.54 9.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -137.87 112.44 8.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.5 t -60.11 131.98 52.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.07 -40.91 91.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.5 -28.04 14.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.8 mtt85 -92.01 -32.1 15.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.5 m -133.36 157.38 45.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.24 -25.66 61.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -57.28 130.47 46.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.047 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -110.97 89.28 9.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -68.89 145.87 63.65 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.56 2.173 . . . . 0.0 112.24 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.28 57.27 4.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.956 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.837 0.351 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.704 ' O ' HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER 59.8 162.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.963 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.704 HG23 ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -169.79 143.86 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.998 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.7 -173.96 38.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.592 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.24 -22.36 22.25 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.628 2.218 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.3 t -95.66 40.08 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.056 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.9 p -177.44 169.12 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.76 160.55 34.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 60.44 30.57 19.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.64 35.43 22.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -145.52 124.53 12.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.486 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -59.39 129.89 44.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.625 ' HE2' HG21 ' A' ' 20' ' ' THR . 13.2 mttt -59.89 162.03 10.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.23 145.91 61.71 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.535 2.157 . . . . 0.0 112.307 179.928 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.61 91.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.183 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.1 -29.15 0.25 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.625 HG21 ' HE2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -63.18 172.25 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.851 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.482 ' O ' HG23 ' A' ' 21' ' ' THR . 10.2 t -127.72 114.88 17.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.0 p -59.09 -21.3 58.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.494 ' CD1' HG22 ' A' ' 25' ' ' THR . 1.1 t-105 66.71 91.65 0.08 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.579 ' HG3' ' CE1' ' A' ' 30' ' ' HIS . 4.0 mmt85 -76.84 -29.07 55.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.029 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.494 HG22 ' CD1' ' A' ' 23' ' ' TRP . 9.2 p 55.69 28.02 11.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.059 -179.896 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.7 t -126.95 -49.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.798 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.9 m -136.34 10.31 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.659 179.878 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.65 176.1 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.84 0.352 . . . . 0.0 110.954 179.81 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.2 m 58.35 89.89 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.016 179.92 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.579 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 21.7 m80 -161.41 104.14 1.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -123.55 172.34 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 29.8 m -117.06 154.39 31.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.6 p -105.93 29.48 6.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 57.68 27.68 59.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.618 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.71 -33.06 11.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.832 0.349 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -176.81 172.64 2.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.5 m -71.67 -29.87 65.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -66.44 102.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 147.78 79.93 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.79 172.13 14.24 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.528 2.152 . . . . 0.0 112.264 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m -100.54 31.5 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.404 ' CB ' ' HA ' ' A' ' 13' ' ' CYS . 17.6 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.836 0.35 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.1 94.9 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.853 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.88 141.45 30.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.32 -172.63 41.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.07 -21.83 20.11 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.612 2.208 . . . . 0.0 112.591 -179.907 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -95.54 21.84 7.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.298 -179.899 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.1 m -146.45 171.31 15.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.881 0.372 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -100.29 -78.77 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.699 179.861 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.429 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -138.55 6.43 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.621 179.964 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 41.8 t 176.38 -33.11 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.775 0.322 . . . . 0.0 111.116 179.884 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.63 130.2 54.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.718 -179.854 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.553 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.0 pp -79.55 156.54 27.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 -179.886 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.553 ' O ' HD12 ' A' ' 15' ' ' LEU . 29.9 mttt -77.64 152.15 80.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -51.79 145.03 32.77 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.611 2.207 . . . . 0.0 112.304 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.563 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -58.49 115.68 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.42 -27.59 2.97 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.72 150.59 27.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -70.98 137.91 49.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.53 -31.68 14.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -157.77 116.09 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.69 132.35 44.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 t -176.45 161.74 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -88.27 54.52 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -151.92 -45.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.185 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.6 m -152.81 176.67 11.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 p -151.06 112.7 4.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -106.93 106.85 17.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -73.9 152.3 40.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.9 t -79.48 166.64 21.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.4 t -104.12 -44.62 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.563 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 105.14 -28.8 13.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.544 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.0 ptt180 -72.3 -31.53 65.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.08 170.69 21.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -31.03 65.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -59.73 114.49 2.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 m -92.17 166.49 17.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.06 151.44 16.47 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.597 2.198 . . . . 0.0 112.317 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.4 t -87.54 -32.76 19.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 38.1 p90 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.967 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.9 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.829 0.347 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.5 95.9 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.16 148.84 50.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.11 -153.01 24.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.536 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.5 -34.1 9.9 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.569 2.179 . . . . 0.0 112.37 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.3 t -98.38 30.5 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.0 m -134.31 129.38 35.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.15 -70.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -123.09 71.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.96 33.75 21.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.82 172.16 13.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.658 HD11 ' N ' ' A' ' 36' ' ' SER . 1.7 tt -100.6 126.8 47.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.464 ' N ' HD23 ' A' ' 15' ' ' LEU . 19.8 mttt -64.15 160.06 51.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 144.11 53.45 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.633 2.222 . . . . 0.0 112.282 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 33' ' ' THR . . . -59.25 106.54 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.939 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.5 -28.88 2.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.526 -179.949 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.3 m -72.9 144.63 47.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.803 0.335 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.496 HG21 ' HB3' ' A' ' 28' ' ' SER . 61.4 p -59.3 157.22 11.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.1 t -85.68 -27.13 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.044 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.407 ' O ' ' CG ' ' A' ' 23' ' ' TRP . 0.9 OUTLIER -154.42 122.46 5.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.889 179.854 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.503 ' O ' HG23 ' A' ' 25' ' ' THR . 0.0 OUTLIER -67.5 146.36 54.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.993 -179.952 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 24' ' ' ARG . 19.8 p -159.61 -44.94 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 p -176.99 -39.22 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 28' ' ' SER . 11.4 p -153.49 -44.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.21 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.496 ' HB3' HG21 ' A' ' 21' ' ' THR . 43.2 t 60.58 165.48 0.07 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -162.33 38.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -112.96 -56.96 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 62.64 147.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -90.9 170.67 9.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.501 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 62.7 p -103.61 -31.24 10.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.02 27.68 6.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.543 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.16 -32.88 6.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.658 ' N ' HD11 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -165.92 172.45 11.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -31.34 66.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -67.56 98.42 0.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.3 p -80.3 149.66 69.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.26 177.25 6.12 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.632 2.221 . . . . 0.0 112.304 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.18 -31.86 9.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.996 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.5 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.56 82.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.2 p -136.28 141.99 43.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.72 -154.97 16.36 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.518 179.954 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.92 -28.36 24.6 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.589 2.192 . . . . 0.0 112.321 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.07 -56.93 3.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.9 m -59.8 147.31 38.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.85 -74.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -120.89 71.54 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.5 t 60.77 31.15 20.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -134.69 139.04 44.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.615 HD11 ' C ' ' A' ' 36' ' ' SER . 6.7 tp -79.84 131.68 35.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -63.66 149.36 92.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.31 144.07 40.91 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.59 2.193 . . . . 0.0 112.307 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.02 87.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.88 -28.17 1.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.546 -179.95 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 21' ' ' THR . 0.2 OUTLIER -60.22 172.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.319 . . . . 0.0 110.92 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.482 HG22 ' CD2' ' A' ' 31' ' ' TYR . 67.4 p -100.5 175.22 5.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.3 p -128.14 -45.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -135.03 79.24 1.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 ttp-105 -100.24 112.65 24.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.13 31.18 3.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.0 m 59.98 64.37 1.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 p -178.65 -38.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -133.01 168.88 17.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.0 m -160.79 82.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 65.5 m170 -73.61 -31.37 63.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.482 ' CD2' HG22 ' A' ' 21' ' ' THR . 9.0 m-85 61.1 155.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -113.11 125.54 54.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.3 p -71.59 -30.87 66.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.81 27.13 7.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.531 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -111.77 -33.84 6.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.615 ' C ' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -154.76 170.49 21.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.933 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.25 -31.53 65.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -66.08 119.29 11.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 149.42 67.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.05 177.4 5.82 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.554 2.169 . . . . 0.0 112.302 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.1 m -125.32 35.33 4.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.943 179.984 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.846 0.355 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 60.8 87.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.6 p -86.42 158.8 19.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.9 -172.34 32.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.544 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.26 -14.14 28.38 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.623 2.215 . . . . 0.0 112.654 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -96.83 30.22 2.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.792 0.33 . . . . 0.0 111.057 -179.949 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.2 p -175.81 171.28 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -127.85 -75.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -117.66 73.89 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.0 t 59.82 31.01 20.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -148.61 99.49 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 pp -60.1 147.89 37.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -74.34 158.21 85.59 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -51.97 144.47 36.35 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.573 2.182 . . . . 0.0 112.343 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.78 103.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.14 -27.33 1.41 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.59 130.74 48.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.849 0.356 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.29 161.03 7.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.1 t -106.63 -55.85 2.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.567 ' CD2' HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER -104.46 -33.79 8.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.961 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.2 ptp85 45.05 40.04 4.29 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.371 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.567 HG21 ' CD2' ' A' ' 23' ' ' TRP . 66.4 p -95.22 169.58 9.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.1 m -85.41 57.35 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -178.5 -38.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 m -130.93 108.85 10.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 t -95.85 79.64 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -79.81 146.44 32.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -131.31 150.68 52.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 t -72.67 172.29 10.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.7 p -109.99 -54.44 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.95 55.55 0.34 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -177.38 -39.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.0 p -122.73 172.47 8.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.8 t -123.71 30.09 6.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -111.39 91.92 3.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.69 110.04 2.32 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.37 176.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.431 2.088 . . . . 0.0 112.314 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.4 m -96.34 -31.61 12.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.7 p90 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.948 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.82 0.343 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.16 92.43 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.3 p -137.61 159.22 42.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.49 -154.72 24.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.521 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.02 -34.88 12.89 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.566 2.177 . . . . 0.0 112.348 179.966 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.8 t -108.74 34.78 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -156.23 165.51 36.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -174.94 126.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 60.87 42.17 13.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.0 m 60.52 36.57 19.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -136.98 139.25 41.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.789 HD11 ' N ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -91.63 136.84 32.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -75.52 152.05 85.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.18 143.49 41.96 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.559 2.173 . . . . 0.0 112.306 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.97 140.99 56.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.74 -28.48 15.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.9 m -60.64 128.83 38.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.506 HG22 ' HB3' ' A' ' 29' ' ' SER . 11.9 p -60.24 153.98 21.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 p -131.82 35.15 3.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -164.66 -69.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 59.81 89.81 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.89 -44.38 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -165.09 -43.2 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 28' ' ' SER . 11.3 p -155.47 -44.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.204 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.473 ' N ' HG13 ' A' ' 27' ' ' VAL . 24.5 m -60.34 97.25 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.506 ' HB3' HG22 ' A' ' 21' ' ' THR . 57.8 m -86.23 108.76 18.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -60.7 -31.21 70.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 29' ' ' SER . 23.5 m-85 61.24 154.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.7 t -109.31 151.03 27.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.61 HG23 ' HD3' ' A' ' 40' ' ' PRO . 63.2 p -62.69 -60.43 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 134.56 -27.38 3.23 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.531 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -124.99 30.75 5.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.758 0.313 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.789 ' N ' HD11 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -158.04 144.42 17.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.838 179.984 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 74.5 m -72.96 -18.8 61.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.044 179.941 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -102.09 161.81 13.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.874 0.369 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.2 m -116.41 151.57 47.08 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.61 ' HD3' HG23 ' A' ' 33' ' ' THR . 56.9 Cg_endo -70.69 171.66 15.05 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.547 2.165 . . . . 0.0 112.362 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.8 m -98.72 31.39 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.968 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.838 0.351 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.7 p -130.66 116.71 18.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -129.89 136.49 49.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.65 -169.12 36.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.67 -25.44 20.66 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.565 2.177 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.9 29.46 3.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.043 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.1 p -177.2 121.6 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -115.65 134.12 55.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 60.74 40.05 16.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 m 61.24 31.98 19.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.63 115.67 21.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.542 HD21 ' HA ' ' A' ' 36' ' ' SER . 1.0 OUTLIER -60.14 141.83 55.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.77 ' HD2' HG21 ' A' ' 20' ' ' THR . 3.8 mttt -86.37 157.97 55.39 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.0 143.36 72.11 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.559 2.173 . . . . 0.0 112.291 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.38 111.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.73 25.25 4.33 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.605 179.998 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.77 HG21 ' HD2' ' A' ' 16' ' ' LYS . 21.5 m -93.02 163.29 13.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.422 ' N ' HG22 ' A' ' 20' ' ' THR . 1.0 OUTLIER -74.09 105.44 5.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.944 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.5 t -60.02 -66.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -148.12 104.48 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.36 96.68 5.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.2 p -100.69 -37.62 8.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.3 t -178.79 -39.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.75 -36.25 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.178 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 t -62.0 154.18 27.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 p -176.66 79.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -107.25 -176.91 3.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -136.85 149.61 47.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.8 135.43 34.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 35' ' ' ARG . 8.8 t -74.31 -41.5 61.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.97 179.956 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.89 26.01 5.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.545 179.928 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.407 ' H ' HG23 ' A' ' 33' ' ' THR . 0.4 OUTLIER -112.59 -34.5 5.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 179.972 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.542 ' HA ' HD21 ' A' ' 15' ' ' LEU . 13.1 t -160.58 171.0 19.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.976 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -31.16 65.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.37 104.84 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.55 146.3 80.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.74 176.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.516 2.144 . . . . 0.0 112.325 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.66 -31.59 7.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.981 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.863 0.364 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.91 131.7 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.7 p -124.72 146.8 48.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.65 179.71 48.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.51 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.06 63.04 1.96 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.598 2.199 . . . . 0.0 112.32 179.989 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.2 t -166.23 -65.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.0 p -69.85 177.18 3.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.7 mmt-85 -137.84 96.72 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 60.82 69.4 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.7 t 57.87 65.16 1.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.22 80.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 mt -58.02 111.46 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.896 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 mmtm -67.26 148.84 98.69 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.18 143.16 43.19 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.568 2.178 . . . . 0.0 112.352 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.47 98.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.76 -28.28 0.75 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.5 m -60.05 136.31 57.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.326 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.404 HG22 ' CE2' ' A' ' 31' ' ' TYR . 68.8 p -75.58 125.85 29.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.22 -40.19 89.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.696 ' NE1' HG23 ' A' ' 25' ' ' THR . 23.5 t-105 60.35 98.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -62.62 -27.72 69.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.91 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.696 HG23 ' NE1' ' A' ' 23' ' ' TRP . 0.2 OUTLIER 64.75 39.88 6.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 179.977 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.4 p -144.74 -49.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 179.922 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 27' ' ' VAL . 14.5 p -178.72 37.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.051 179.943 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' ' CZ3' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -177.87 177.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.966 179.955 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.1 t -145.88 126.65 14.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -103.61 -177.32 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.404 ' CE2' HG22 ' A' ' 21' ' ' THR . 35.5 m-85 -130.07 130.37 44.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.7 149.21 49.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.05 -63.19 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.69 -28.62 2.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -84.15 -33.69 24.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.949 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -144.84 158.67 43.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 81.9 m -72.0 -26.43 62.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -67.37 111.54 4.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.03 153.23 96.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.53 175.33 8.05 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.552 2.168 . . . . 0.0 112.296 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 t -77.88 -32.84 52.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 31.3 p90 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 -179.982 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.1 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.818 0.342 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 t -75.08 163.68 27.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -177.25 154.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.43 -156.49 27.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 -179.931 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.96 -37.08 1.71 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.662 2.241 . . . . 0.0 112.551 -179.829 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.6 t -84.66 56.88 4.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.042 -179.808 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 p 176.24 169.33 0.44 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.867 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -122.5 85.47 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.826 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 60.59 72.43 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.4 t 61.53 69.99 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.81 -179.903 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -177.83 98.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.497 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -57.92 133.97 55.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.029 179.985 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -73.51 154.38 89.75 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.36 144.05 41.49 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.576 2.184 . . . . 0.0 112.303 179.95 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.84 113.78 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.62 -27.8 3.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -59.89 164.19 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.879 HG22 ' O ' ' A' ' 30' ' ' HIS . 1.2 p -105.28 151.83 23.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.7 m -90.34 -74.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.496 ' CH2' HG21 ' A' ' 25' ' ' THR . 12.1 t90 -102.7 150.35 23.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -155.06 84.83 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.496 HG21 ' CH2' ' A' ' 23' ' ' TRP . 3.4 t -97.92 -38.4 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.6 t -179.2 -39.47 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -121.96 -40.18 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.153 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.426 ' HB2' ' CE3' ' A' ' 23' ' ' TRP . 22.4 m -79.29 100.29 7.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.1 p -97.5 -34.39 11.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.879 ' O ' HG22 ' A' ' 21' ' ' THR . 5.1 m170 59.39 162.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 30' ' ' HIS . 45.6 m-85 -150.55 102.93 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.27 172.19 1.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.7 t -109.45 -31.23 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.47 26.84 8.98 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.57 -179.955 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -112.43 -34.27 5.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.82 172.25 18.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.4 m -72.3 -29.73 64.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -59.29 102.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 80.7 m -59.64 148.86 73.62 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.61 177.5 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.527 2.152 . . . . 0.0 112.292 -179.95 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.401 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 5.8 p -124.93 31.49 5.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.401 ' CG ' ' O ' ' A' ' 41' ' ' SER . 6.4 m-85 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.817 0.341 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -106.74 -31.3 8.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 60.84 39.32 17.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -157.22 94.05 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.556 HG21 ' HG2' ' A' ' 38' ' ' GLU . 6.8 m -60.27 146.83 42.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.79 172.07 7.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.13 -163.66 29.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.519 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.22 167.5 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.624 2.216 . . . . 0.0 112.31 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.5 m 60.09 32.35 20.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.56 175.87 9.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -169.0 90.14 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 60.7 60.69 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 60.12 31.46 20.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.01 117.77 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.501 HD22 ' HA ' ' A' ' 35' ' ' ARG . 3.7 pp -60.2 151.57 26.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -86.48 160.39 51.0 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.17 143.69 41.08 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.57 2.18 . . . . 0.0 112.317 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.81 127.11 30.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.66 28.23 6.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 21' ' ' THR . 48.8 m -96.16 161.2 14.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.426 ' N ' HG22 ' A' ' 20' ' ' THR . 0.7 OUTLIER -86.84 142.22 28.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.2 t -102.75 75.5 1.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.1 t90 60.91 80.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 -63.38 130.63 45.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.49 HG23 ' H ' ' A' ' 27' ' ' VAL . 9.9 t -176.56 179.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -98.76 30.82 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.49 ' H ' HG23 ' A' ' 25' ' ' THR . 21.5 t -112.06 -33.31 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.5 t -176.73 96.73 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.4 m -71.36 119.83 16.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -140.48 -178.44 5.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -145.98 172.23 13.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 75.2 m -94.11 162.8 13.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.2 p -87.52 -68.63 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.67 -28.45 0.84 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.501 ' HA ' HD22 ' A' ' 15' ' ' LEU . 47.8 mtt85 -134.97 36.31 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -161.85 172.38 16.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.5 m -125.98 31.56 5.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.556 ' HG2' HG21 ' A' ' 5' ' ' THR . 4.5 mm-40 -106.22 144.33 33.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.2 t -114.82 86.39 13.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.16 177.39 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.586 2.19 . . . . 0.0 112.32 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -105.69 31.62 4.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -92.82 150.46 39.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.95 -27.07 26.0 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.526 2.151 . . . . 0.0 112.373 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -136.2 144.04 15.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -160.91 138.75 9.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.36 -1.244 . . . . 0.0 112.545 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.835 0.35 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 6.7 ttm -149.05 80.1 1.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -94.12 159.53 15.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 51.2 t -177.51 -39.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.535 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 60.39 109.3 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.93 172.06 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.93 -155.61 16.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.91 155.08 66.32 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.529 2.153 . . . . 0.0 112.354 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.9 t 64.69 32.38 11.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.1 p -177.16 122.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -133.48 138.06 45.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 60.31 39.5 18.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 t 61.25 33.15 19.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -136.14 107.79 7.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.24 156.59 15.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -87.9 148.03 42.42 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.77 139.44 58.93 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.598 2.198 . . . . 0.0 112.303 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.91 90.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.51 -27.85 0.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -59.67 165.81 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.876 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 t -107.91 122.19 46.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.4 m -66.31 93.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.455 ' CH2' HG21 ' A' ' 25' ' ' THR . 27.2 t90 60.61 110.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -105.39 144.28 32.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.455 HG21 ' CH2' ' A' ' 23' ' ' TRP . 23.6 p -133.03 32.34 3.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.45 35.48 20.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -178.5 -38.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.1 m -84.26 119.3 24.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.76 102.06 4.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -103.28 -32.15 9.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 60.28 104.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 t -60.3 168.94 1.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.6 p -108.5 -31.08 7.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.82 27.75 10.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.562 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -112.21 -33.74 6.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.333 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -158.55 172.77 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.535 ' SG ' HG22 ' A' ' 5' ' ' THR . 65.2 m -71.8 -31.16 66.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -59.12 134.58 57.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 96.1 m -129.13 88.43 51.26 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -51.7 154.1 10.0 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.542 2.162 . . . . 0.0 112.325 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.39 57.3 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -106.98 79.6 0.7 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.95 -167.92 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.545 2.163 . . . . 0.0 112.335 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.78 -40.48 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -78.4 141.09 38.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.503 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.795 0.331 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.88 -32.53 10.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.33 -44.04 76.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.1 t 60.64 84.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.849 HG21 HD23 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -61.45 131.03 48.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 54.4 m -150.83 134.77 16.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.61 -170.52 41.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.41 -54.3 5.42 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.592 2.195 . . . . 0.0 112.289 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.4 t -76.48 -53.2 8.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.7 m -55.47 162.47 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.39 -166.71 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.771 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -58.57 88.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 61.25 49.21 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.59 111.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.849 HD23 HG21 ' A' ' 5' ' ' THR . 3.9 pp -66.61 169.52 7.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -90.08 146.3 34.72 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.015 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.1 146.2 49.76 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.569 2.179 . . . . 0.0 112.297 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.13 112.53 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.16 -27.54 5.31 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -59.65 166.6 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.2 p -79.58 161.21 26.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.3 t -103.67 -48.73 3.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.439 ' CZ2' ' CG2' ' A' ' 25' ' ' THR . 6.4 t90 -149.02 142.98 25.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -139.98 108.14 5.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.439 ' CG2' ' CZ2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -105.46 -34.7 7.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -178.14 -39.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 28' ' ' SER . 12.4 p -128.99 -43.97 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.456 ' N ' HG13 ' A' ' 27' ' ' VAL . 3.0 t -76.61 102.72 6.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -92.67 -32.07 14.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.5 m170 60.63 -176.72 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -155.15 124.95 6.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.36 164.07 4.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.9 t -84.24 -38.78 20.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.05 40.92 5.71 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.535 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -174.73 -40.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.79 153.07 48.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 84.2 m -72.46 -23.27 61.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -57.35 120.52 8.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.951 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.59 89.09 14.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -51.49 136.87 48.84 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.561 2.174 . . . . 0.0 112.331 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.1 t -85.32 57.19 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -160.22 78.97 2.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.29 -169.78 0.38 Allowed 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.591 2.194 . . . . 0.0 112.301 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.76 59.05 0.38 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -155.72 -57.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.557 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.816 0.341 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 9.8 ptt? -148.67 169.84 19.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 60.63 105.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.9 t -140.42 108.02 5.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 t -59.99 150.46 28.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.3 p -153.42 143.21 21.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.06 178.76 16.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.85 53.85 4.93 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.695 2.263 . . . . 0.0 112.542 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.93 37.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.974 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.9 p -171.48 142.53 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -60.59 -173.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -56.57 -30.05 62.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -159.66 31.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.92 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -140.81 153.74 45.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.556 HD13 ' H ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -89.38 138.22 31.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.556 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -76.34 166.84 41.82 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.15 143.02 52.35 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.539 2.159 . . . . 0.0 112.34 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.87 108.23 5.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.28 35.11 1.13 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.511 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.0 t -120.82 173.3 7.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.15 158.42 28.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.1 t -141.29 -47.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.448 ' CZ2' HG21 ' A' ' 25' ' ' THR . 24.4 t90 -159.78 80.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -84.02 136.32 34.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.448 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 26.4 p -153.9 -170.03 3.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.0 p -98.49 29.72 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.79 -40.99 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.3 p -163.74 -170.01 2.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 m -136.09 150.71 49.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -153.71 167.17 30.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -142.28 161.44 38.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.6 153.77 30.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.5 t -93.97 -35.49 12.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.42 -28.09 14.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -78.35 -32.81 49.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -149.56 162.12 40.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.6 t -72.25 -27.5 62.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -57.1 139.48 52.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.012 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.9 m -120.18 87.74 40.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -52.06 141.96 45.9 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.577 2.184 . . . . 0.0 112.269 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.3 p -85.32 57.3 4.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.424 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 57.4 t80 -132.26 139.69 35.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.808 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HD2' ' CD2' ' A' ' 42' ' ' TYR . 57.2 Cg_endo -71.11 129.13 15.7 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.44 2.093 . . . . 0.0 112.26 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.98 -169.19 32.5 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -80.09 -57.66 3.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.428 -1.206 . . . . 0.0 112.495 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.85 0.357 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 19.5 ptp -130.6 -178.17 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -90.55 151.73 21.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 t -153.08 121.41 6.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.23 153.28 22.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.44 172.01 13.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.26 -174.61 22.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -33.3 17.05 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.567 2.178 . . . . 0.0 112.249 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.2 t -98.06 37.48 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.17 134.88 54.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -97.79 85.57 3.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 63.9 -79.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.57 31.33 1.88 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -140.55 159.93 41.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mp -81.36 144.73 31.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.591 ' HD3' HG21 ' A' ' 20' ' ' THR . 38.1 mttt -85.47 162.56 47.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.3 136.6 40.78 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.535 2.156 . . . . 0.0 112.318 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.54 112.08 1.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.51 27.13 3.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.582 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.591 HG21 ' HD3' ' A' ' 16' ' ' LYS . 24.7 m -90.21 163.0 14.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.751 0.31 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.427 ' N ' HG22 ' A' ' 20' ' ' THR . 0.8 OUTLIER -101.48 95.52 6.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.921 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.0 p -91.27 -31.53 16.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -140.91 152.48 45.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -171.56 124.65 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.1 p -108.05 -77.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -177.58 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -87.26 -32.57 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 m -134.13 151.16 51.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.8 m -131.13 122.5 26.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 53.2 m170 -102.43 151.91 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -131.22 158.59 40.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.4 148.28 37.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.2 p -82.91 -35.56 26.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.56 -28.38 13.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -83.15 -33.25 26.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.349 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 p -142.6 163.72 32.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 36.1 m -72.13 -28.92 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.21 150.08 31.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -118.24 88.04 31.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -51.82 169.01 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.543 2.162 . . . . 0.0 112.344 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.2 m -98.2 35.91 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -91.17 149.5 39.95 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.19 108.39 2.15 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.592 2.195 . . . . 0.0 112.292 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.56 -97.61 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -107.32 -62.16 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.396 -1.225 . . . . 0.0 112.482 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.791 0.329 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -66.23 -55.69 14.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -68.65 -170.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.1 t -176.46 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.59 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 60.59 107.63 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 p -106.01 150.64 25.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.36 165.42 12.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.556 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.64 -21.4 31.43 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.671 2.247 . . . . 0.0 112.527 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 39.0 m -96.65 32.87 1.95 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.102 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.3 p -177.71 140.73 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.949 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -145.78 165.08 29.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.814 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.1 pm0 44.42 31.06 0.54 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.452 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 64.5 77.64 0.31 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.95 136.42 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.49 HD21 ' O ' ' A' ' 35' ' ' ARG . 0.6 OUTLIER -84.86 126.45 33.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.5 ' HD3' HG21 ' A' ' 20' ' ' THR . 25.7 mttp -73.61 160.34 82.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.809 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.73 141.37 49.42 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.578 2.185 . . . . 0.0 112.274 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.528 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -57.42 100.45 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.94 -26.45 0.92 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.5 HG21 ' HD3' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -58.61 153.46 16.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.814 0.34 . . . . 0.0 110.947 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.604 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.7 OUTLIER -91.56 145.75 24.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.3 p -103.8 -38.19 7.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -106.7 -47.75 3.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.46 ' O ' HG23 ' A' ' 25' ' ' THR . 0.1 OUTLIER 57.59 105.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.947 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 24' ' ' ARG . 31.4 p -158.49 165.02 35.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -86.66 55.92 3.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 p -178.69 -38.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.0 m -103.7 -78.31 0.56 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.4 t 60.02 77.6 0.31 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.604 ' O ' HG22 ' A' ' 21' ' ' THR . 8.3 m80 -84.04 174.74 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -135.22 149.67 49.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.9 m -82.47 136.77 34.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.8 p -64.4 -30.31 71.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.528 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 96.5 -26.98 19.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.49 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -92.41 -30.75 15.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.318 . . . . 0.0 110.929 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -138.01 156.16 48.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.59 ' SG ' HG22 ' A' ' 5' ' ' THR . 67.5 m -72.55 -24.68 61.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.053 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.68 127.2 28.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.12 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.8 t -103.72 94.15 5.91 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.79 151.76 78.26 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.473 2.116 . . . . 0.0 112.333 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -60.64 -30.08 69.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -114.63 86.9 13.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.76 -27.64 34.93 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.549 2.166 . . . . 0.0 112.343 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -136.11 -140.87 4.22 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.522 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 60.29 80.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.49 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.842 0.353 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 10.5 ptp -106.15 -43.72 4.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -144.03 -63.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -77.32 134.98 38.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.7 p -60.18 111.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.6 p -128.36 132.38 48.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.82 -156.63 22.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.93 -34.16 14.55 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.579 2.186 . . . . 0.0 112.283 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.68 -51.69 5.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.4 m -59.42 144.17 47.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.78 84.64 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 61.47 68.98 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.7 t 60.04 68.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -170.85 106.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -72.06 128.28 35.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -79.36 154.21 76.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.31 141.65 49.29 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.596 2.197 . . . . 0.0 112.303 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.69 110.74 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.25 34.77 1.17 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.4 m -98.25 149.84 22.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.797 HG21 ' CZ ' ' A' ' 24' ' ' ARG . 45.2 p -70.96 118.21 13.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.44 -33.19 21.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.586 ' CZ2' HG21 ' A' ' 25' ' ' THR . 4.8 t90 -137.48 100.19 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.797 ' CZ ' HG21 ' A' ' 21' ' ' THR . 0.7 OUTLIER -89.23 74.11 7.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.586 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 0.6 OUTLIER -111.62 -14.8 13.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.21 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.04 31.2 0.85 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.925 0.393 . . . . 0.0 110.656 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m -113.22 -31.06 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.171 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.1 p -164.37 -169.87 1.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.9 m -132.47 126.8 33.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -116.16 -39.36 3.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 61.58 153.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.67 139.66 37.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.656 HG23 ' HD3' ' A' ' 40' ' ' PRO . 57.1 p -60.77 -47.47 86.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.11 -37.71 3.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -33.08 64.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -136.05 166.67 22.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.07 -30.77 65.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -62.96 133.43 54.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.47 145.84 30.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.656 ' HD3' HG23 ' A' ' 33' ' ' THR . 52.4 Cg_exo -52.73 177.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.552 2.168 . . . . 0.0 112.298 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 t -146.06 31.59 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -159.78 88.4 1.96 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -51.49 104.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.582 2.188 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.39 -88.76 0.11 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.535 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -169.71 139.85 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.822 0.344 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.351 -1.249 . . . . 0.0 112.47 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.825 0.345 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 25.7 mtt 60.57 170.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -155.44 156.07 34.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.9 t -160.17 149.95 18.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.6 p -69.3 109.91 4.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.6 p -131.86 134.29 45.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.19 -177.31 34.11 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.15 -39.13 71.77 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.568 2.179 . . . . 0.0 112.311 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.9 t -98.89 31.81 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 72.1 m -151.19 127.78 10.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.01 151.44 42.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 60.6 35.83 19.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 60.75 36.12 19.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -150.51 163.91 37.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.522 HD23 ' N ' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -85.55 148.0 26.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.522 ' N ' HD23 ' A' ' 15' ' ' LEU . 31.1 mttt -78.78 154.07 78.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.86 143.39 50.2 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.556 2.171 . . . . 0.0 112.254 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.73 92.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.7 -28.52 0.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.489 HG21 ' HE2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -60.55 161.24 7.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.347 . . . . 0.0 110.909 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.9 OUTLIER -106.25 124.71 50.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.36 -32.83 64.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -158.33 116.65 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -158.02 118.48 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 25' ' ' THR . 10.0 t -176.65 74.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.6 m 59.54 30.56 20.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 28' ' ' SER . 11.4 p -134.91 -44.84 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.485 ' N ' HG13 ' A' ' 27' ' ' VAL . 4.8 t -167.58 -171.79 1.74 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -143.88 84.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.532 ' O ' HG22 ' A' ' 21' ' ' THR . 59.5 m170 -81.66 -178.01 6.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -159.72 151.58 20.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.1 m -98.81 153.74 18.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.1 p -103.4 -31.43 10.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.415 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . 90.73 28.38 16.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.446 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.6 -32.99 6.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.56 172.29 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 72.7 m -72.26 -31.64 65.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -66.79 111.1 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.51 149.2 64.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.15 151.17 66.7 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.576 2.184 . . . . 0.0 112.296 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 p -105.36 33.75 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -134.03 87.22 35.17 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.15 120.1 6.75 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.562 2.175 . . . . 0.0 112.315 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.7 147.59 35.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 60.46 159.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.526 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.819 0.343 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -142.04 -179.89 6.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -71.43 -174.62 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 m 60.59 99.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.5 82.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 m -108.85 153.07 24.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.57 -151.32 22.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.538 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.59 -37.76 6.8 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.56 2.173 . . . . 0.0 112.367 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.7 t -100.58 31.01 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.8 m -145.84 176.67 9.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.4 mtt-85 -157.33 131.21 8.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 62.63 -80.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -154.31 31.51 0.43 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -148.44 152.08 36.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.441 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -90.25 154.5 19.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -78.66 160.27 72.49 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.21 143.89 40.75 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.582 2.188 . . . . 0.0 112.309 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.434 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.29 117.49 4.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.14 28.3 3.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 21' ' ' THR . 8.0 m -91.27 164.7 13.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.822 0.344 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.402 ' N ' HG22 ' A' ' 20' ' ' THR . 0.8 OUTLIER -77.22 151.57 35.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 m -126.61 78.83 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.9 t90 60.68 106.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.21 139.97 53.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.575 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.7 OUTLIER -142.4 30.89 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.64 27.76 16.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.002 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 25' ' ' THR . 21.4 t -120.79 -39.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.15 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t -141.08 -171.45 3.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.12 154.25 49.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.421 ' CD2' ' HG3' ' A' ' 43' ' ' PRO . 4.5 t-160 -170.48 144.36 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -136.35 144.67 44.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 88.7 m -63.46 169.35 3.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.415 HG23 ' N ' ' A' ' 34' ' ' GLY . 10.0 t -93.16 -44.64 8.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.434 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 109.09 38.57 1.81 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.498 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -159.75 -44.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 p -128.99 164.96 22.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.06 -29.87 64.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -64.51 103.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.415 ' HB3' ' CE1' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -60.29 147.18 82.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.47 168.96 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.55 2.166 . . . . 0.0 112.293 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.5 m -102.53 -31.56 10.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -114.53 87.35 13.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HG3' ' CD2' ' A' ' 30' ' ' HIS . 54.1 Cg_exo -52.11 126.64 20.88 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.517 2.145 . . . . 0.0 112.337 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -161.51 28.84 0.29 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -120.4 -177.74 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.349 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.523 179.943 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.811 0.338 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 10.0 tpt -105.93 -65.59 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -160.69 134.04 6.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.39 113.26 12.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.2 p -95.69 143.39 26.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 12' ' ' GLN . 20.1 p -130.39 129.92 43.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.788 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.99 -153.83 8.11 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.619 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -74.79 -38.89 1.51 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.65 2.233 . . . . 0.0 112.639 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.8 t -81.81 -74.1 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.035 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.3 p -53.63 148.98 8.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.125 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -168.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.577 ' O ' HG22 ' A' ' 6' ' ' THR . 1.9 tt0 -59.08 -31.28 68.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -160.22 35.62 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.31 114.02 7.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 15' ' ' LEU . 7.4 tp -60.57 137.27 58.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HD2' HG21 ' A' ' 20' ' ' THR . 17.2 mmtt -79.69 161.92 64.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.61 133.69 32.85 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.557 2.171 . . . . 0.0 112.306 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.621 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.83 110.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.065 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.57 36.12 2.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.412 HG21 ' HD2' ' A' ' 16' ' ' LYS . 12.4 t -125.23 164.38 20.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.815 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.9 142.23 54.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.13 -38.95 7.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.493 ' CH2' HG21 ' A' ' 25' ' ' THR . 37.0 t90 -176.14 66.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.6 ptt-85 -60.02 125.5 23.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.493 HG21 ' CH2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -110.63 -33.5 6.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 m -178.72 -38.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 28' ' ' SER . 12.4 p -150.98 -44.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.192 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.488 ' N ' HG13 ' A' ' 27' ' ' VAL . 41.5 t -59.5 126.02 25.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.1 m -130.21 140.08 50.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 45.5 m170 -110.06 -31.25 7.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 63.68 136.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.06 142.38 39.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.1 p -78.8 -41.9 29.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.621 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 105.33 -26.95 20.19 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.528 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.31 -30.31 15.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.9 t -148.19 161.2 41.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.02 -27.27 62.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.054 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.76 98.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.974 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 89.9 m -76.86 149.15 80.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.32 177.4 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.556 2.171 . . . . 0.0 112.296 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -134.15 34.28 3.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.427 ' CD1' ' HD2' ' A' ' 43' ' ' PRO . 62.0 t80 -150.64 139.18 12.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HD2' ' CD1' ' A' ' 42' ' ' TYR . 56.4 Cg_endo -70.37 140.51 40.54 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.473 2.115 . . . . 0.0 112.318 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.74 -156.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.532 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -128.91 -67.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.335 -1.258 . . . . 0.0 112.463 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.852 0.358 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.4 ptm -134.45 35.49 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -95.19 110.01 22.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.5 t 60.32 107.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 p -60.31 159.7 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.74 141.17 26.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.37 -162.84 33.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.82 -36.44 10.64 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.614 2.21 . . . . 0.0 112.312 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.1 t -97.97 37.01 1.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.82 127.61 55.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -99.42 94.96 6.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.89 -79.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.51 37.48 0.83 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.72 136.29 24.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.587 HD11 ' CA ' ' A' ' 36' ' ' SER . 2.1 tt -68.75 121.82 17.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -60.16 148.49 78.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.5 136.3 56.49 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.546 2.164 . . . . 0.0 112.313 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.408 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.93 103.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.65 -26.16 2.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.568 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -58.68 147.9 31.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.2 p -60.39 154.73 19.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.43 -51.17 2.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -163.25 78.0 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -110.46 121.24 44.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.86 -36.24 9.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -178.51 -39.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -118.33 -37.61 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.197 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.4 p -60.01 163.56 4.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 m -164.22 124.32 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -126.07 -46.3 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 60.74 157.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.96 172.24 13.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -112.03 -37.38 5.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.408 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 96.49 -30.36 8.89 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.561 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 mtm-85 -72.15 -31.96 66.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.587 ' CA ' HD11 ' A' ' 15' ' ' LEU . 29.7 t -159.24 169.75 23.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.5 m -72.1 -30.73 65.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.17 134.82 54.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.6 147.88 38.85 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.46 172.2 0.17 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.581 2.187 . . . . 0.0 112.293 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -101.73 -31.11 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -105.3 87.89 2.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.17 136.92 35.88 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.519 2.146 . . . . 0.0 112.279 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 162.11 -28.82 0.27 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.477 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.69 111.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.511 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.816 0.341 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.3 mmt -60.38 162.24 6.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -70.62 92.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.1 t -60.48 163.1 5.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 t -88.31 141.96 28.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.69 157.41 43.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.64 -168.57 24.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.93 -38.67 1.15 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.647 2.232 . . . . 0.0 112.59 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.94 55.51 3.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.094 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.9 p 179.97 142.32 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -114.35 144.75 42.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 62.57 -80.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.47 37.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -145.77 143.02 29.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.0 pp -60.14 158.01 12.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.476 ' O ' HD12 ' A' ' 15' ' ' LEU . 29.1 mttt -87.09 162.42 43.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.76 144.64 54.69 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.611 2.207 . . . . 0.0 112.307 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.86 108.35 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.61 -27.34 2.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -59.6 157.03 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.48 HG22 ' CD1' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -103.26 134.45 46.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 87.0 m -60.3 -73.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.497 ' CZ2' HG21 ' A' ' 25' ' ' THR . 13.7 t90 -122.22 118.07 27.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -102.4 113.06 26.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.497 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 1.0 OUTLIER -133.32 32.08 3.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.0 m 60.73 32.11 20.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.61 -38.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.2 m -88.11 149.73 23.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 20.9 p -176.56 110.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -99.94 -32.03 11.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.48 ' CD1' HG22 ' A' ' 21' ' ' THR . 24.6 m-85 61.32 154.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -118.27 148.91 41.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 t -77.71 -30.93 52.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.26 27.17 7.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.554 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.69 -33.44 6.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.34 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 96.6 p -155.06 172.22 18.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.3 t -75.45 -29.62 59.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -58.56 109.53 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.6 m -60.61 149.77 77.47 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.31 177.44 5.96 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.589 2.193 . . . . 0.0 112.289 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.4 m -125.85 35.55 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -164.08 87.55 1.16 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.41 -27.14 28.48 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.541 2.161 . . . . 0.0 112.373 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.07 -152.69 50.38 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -104.24 -175.9 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.387 -1.23 . . . . 0.0 112.493 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.833 0.349 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.68 143.92 56.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -152.26 106.73 3.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 p -137.25 161.19 36.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.24 132.74 54.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.44 163.72 12.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.09 162.57 9.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.23 -35.29 62.85 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.577 2.184 . . . . 0.0 112.311 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.3 t -70.49 -39.52 74.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m -76.81 129.63 36.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.71 115.32 30.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 63.93 -79.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.9 t -156.19 68.92 0.62 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -170.53 150.64 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.594 HD11 ' C ' ' A' ' 35' ' ' ARG . 2.2 tt -89.98 118.73 29.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.423 ' O ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.78 149.16 85.91 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.35 143.58 43.19 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.569 2.179 . . . . 0.0 112.282 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.79 121.89 12.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.07 28.28 4.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.417 HG21 ' HD3' ' A' ' 16' ' ' LYS . 11.8 m -104.94 143.85 32.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.08 131.96 45.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.77 -52.36 65.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -157.03 79.63 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.553 ' O ' HG23 ' A' ' 25' ' ' THR . 4.1 ttt85 -65.0 125.13 23.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 24' ' ' ARG . 11.3 p -160.61 -78.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.2 p -177.99 -39.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -79.77 -32.69 14.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 t -113.55 175.54 5.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.75 36.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.438 ' CD2' ' HG3' ' A' ' 43' ' ' PRO . 12.1 m170 -69.2 -178.03 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -145.99 147.98 32.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.94 171.51 14.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 p -106.98 -67.35 0.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.525 ' O ' HD22 ' A' ' 15' ' ' LEU . . . 143.08 -36.56 1.58 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.524 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.594 ' C ' HD11 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -93.96 -31.31 14.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.902 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.7 m -128.29 172.59 10.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 m -122.45 29.38 6.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -98.33 103.46 15.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.37 110.0 2.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.44 172.8 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.464 2.109 . . . . 0.0 112.291 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.3 t -111.59 31.68 5.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -159.83 86.61 2.03 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.438 ' HG3' ' CD2' ' A' ' 30' ' ' HIS . 52.6 Cg_exo -52.54 -61.68 0.46 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.526 2.151 . . . . 0.0 112.334 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 162.41 -160.99 33.23 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.532 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -99.12 31.55 3.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.517 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.789 0.328 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -136.47 31.49 2.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.69 106.73 14.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.576 ' O ' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER -105.1 141.26 36.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.9 p -60.79 108.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 4' ' ' CYS . 2.4 t -153.55 138.6 17.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.49 -150.42 22.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.556 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.18 -59.92 0.93 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.596 2.198 . . . . 0.0 112.318 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 t -98.42 35.69 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 99.1 m -150.72 123.08 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -105.16 111.85 24.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 63.72 -80.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.2 m -147.72 36.38 0.87 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -137.64 136.42 37.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 16' ' ' LYS . 1.8 tt -97.63 123.84 41.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.504 ' O ' HD23 ' A' ' 15' ' ' LEU . 8.3 mttm -61.29 149.64 82.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.33 143.26 44.21 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.56 2.173 . . . . 0.0 112.288 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.765 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -60.7 108.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.45 -29.39 2.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.7 m -60.4 140.48 57.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.407 HG22 ' CD2' ' A' ' 31' ' ' TYR . 18.7 p -75.27 104.24 5.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.1 p -74.29 -31.56 62.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.4 t90 -134.33 121.37 21.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.707 ' O ' HG23 ' A' ' 25' ' ' THR . 6.4 ptt-85 -148.97 170.06 19.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 24' ' ' ARG . 0.7 OUTLIER -169.99 -42.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -172.25 -77.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.4 -31.23 4.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.6 p -90.89 118.86 30.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.38 113.85 9.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -106.38 121.51 44.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.407 ' CD2' HG22 ' A' ' 21' ' ' THR . 38.8 m-85 -86.91 172.11 10.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.21 172.31 10.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -103.24 -41.17 6.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.765 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 101.75 32.76 4.96 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.503 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -156.81 -45.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.0 m -129.71 167.82 17.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.1 m -72.28 -31.25 65.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -65.26 115.43 5.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.1 m -82.85 149.7 60.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.84 172.76 12.13 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.591 2.194 . . . . 0.0 112.351 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.9 t -107.05 33.11 4.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -106.3 85.85 1.86 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.96 -27.01 26.05 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.59 2.194 . . . . 0.0 112.366 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 173.59 -161.97 32.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -162.5 -74.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.485 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.837 0.351 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.9 ttt -104.93 163.93 12.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -133.64 145.76 50.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.719 ' O ' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER -145.62 133.34 21.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.2 p -60.39 91.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.719 HG22 ' O ' ' A' ' 4' ' ' CYS . 1.4 t -142.01 131.16 23.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.17 -150.07 9.2 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.87 -54.01 6.03 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.621 2.214 . . . . 0.0 112.323 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.5 m -81.05 -56.47 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.1 m -59.87 144.03 49.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -125.03 -74.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -91.32 55.97 2.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m 59.45 31.14 20.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -128.24 158.4 38.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.648 HD13 ' O ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -107.67 114.79 29.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -59.95 162.98 8.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -68.52 145.25 63.89 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.574 2.183 . . . . 0.0 112.278 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.04 101.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.21 -28.31 0.99 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.3 172.31 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.18 134.13 47.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.7 p -86.76 -39.38 16.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -141.42 112.1 7.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -108.32 113.59 26.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.21 -177.28 5.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.1 t -98.73 30.32 3.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.97 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 m -127.06 -43.23 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -155.79 -176.21 5.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -149.79 150.98 32.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 31' ' ' TYR . 6.3 m-70 -142.26 174.2 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 30' ' ' HIS . 23.9 m-85 -151.03 127.51 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 m -65.27 172.28 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.7 p -105.5 -31.26 9.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.648 ' O ' HD13 ' A' ' 15' ' ' LEU . . . 111.08 -27.99 10.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -31.53 53.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m -136.74 168.64 19.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 80.9 m -72.25 -31.64 65.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -65.53 164.45 14.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.0 p -130.1 54.31 14.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.29 106.35 1.74 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.563 2.175 . . . . 0.0 112.293 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.91 31.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.4 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 5.1 m-85 60.82 157.18 0.11 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.97 97.59 0.66 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.603 2.202 . . . . 0.0 112.297 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.65 119.3 17.63 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.548 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 60.53 165.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.336 -1.258 . . . . 0.0 112.452 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.818 0.342 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 9.5 mtp 60.4 34.93 20.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -103.61 106.95 17.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.3 t -130.57 109.43 10.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.2 p -82.7 110.22 17.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.4 p -130.93 149.01 52.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.64 -150.96 23.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.17 -35.76 10.88 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.607 2.205 . . . . 0.0 112.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 t -98.8 31.06 3.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.46 ' SG ' HD22 ' A' ' 15' ' ' LEU . 39.5 m -141.95 149.05 39.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.2 mtm-85 -92.22 -83.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -111.75 -27.75 8.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.792 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.7 t 179.94 38.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 pttm -144.31 172.66 12.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.99 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.51 HD21 ' C ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -105.92 126.38 52.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -60.41 148.71 79.46 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.51 143.1 46.58 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.601 2.2 . . . . 0.0 112.261 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.78 139.08 57.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.85 -26.99 21.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.6 m -59.19 130.79 48.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 p -60.2 159.47 9.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.24 -66.91 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.748 ' CZ2' HG21 ' A' ' 25' ' ' THR . 9.6 t90 -132.63 145.49 51.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.558 ' O ' HG23 ' A' ' 25' ' ' THR . 0.7 OUTLIER -128.5 126.51 40.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.961 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.748 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -163.69 31.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m 59.66 64.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -178.7 -38.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.1 t -162.0 132.56 4.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.84 -33.16 7.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 59.96 -176.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -156.92 120.04 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.39 136.78 58.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.471 HG23 ' H ' ' A' ' 35' ' ' ARG . 8.8 t -66.89 -30.85 71.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.82 27.76 25.66 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.556 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.471 ' H ' HG23 ' A' ' 33' ' ' THR . 4.4 ttt180 -135.48 -45.91 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.957 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.51 ' C ' HD21 ' A' ' 15' ' ' LEU . 2.0 m -128.66 158.49 38.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.478 ' N ' HD21 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -72.39 -26.04 61.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.022 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -57.32 135.23 56.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.023 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.9 90.43 15.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.59 170.93 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.541 2.161 . . . . 0.0 112.39 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.3 m -114.75 70.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.421 ' N ' ' HD2' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -177.61 -61.85 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.026 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 42' ' ' TYR . 37.5 Cg_endo -65.97 72.95 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.413 2.075 . . . . 0.0 112.195 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -126.1 -86.68 0.62 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -140.33 161.28 38.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.475 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.8 0.333 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 13.1 mtp -144.35 -177.34 5.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.8 t0 60.57 37.23 19.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -177.46 -39.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.783 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 62.17 117.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.4 m -148.02 154.43 40.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.46 -175.09 43.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.538 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.25 -45.3 40.27 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.615 2.21 . . . . 0.0 112.316 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 t -97.36 39.44 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.0 m -144.56 118.26 9.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -77.71 102.79 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 63.94 -79.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -141.83 31.64 1.62 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.09 156.53 42.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.485 HD11 ' N ' ' A' ' 36' ' ' SER . 0.9 OUTLIER -100.43 126.15 46.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -60.96 156.29 48.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.6 143.88 53.08 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.523 2.149 . . . . 0.0 112.314 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.51 110.81 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.066 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.09 -28.52 2.92 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.62 172.27 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 p -86.93 174.57 8.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.7 t -129.91 -46.07 1.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -131.86 92.83 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.7 111.75 22.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.8 p -153.31 -169.8 3.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -108.77 67.1 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.42 -38.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.03 151.48 31.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -133.57 116.27 15.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -97.18 175.12 6.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -134.56 160.37 38.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.45 142.91 32.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.548 HG23 ' H ' ' A' ' 35' ' ' ARG . 9.6 t -95.9 -34.75 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.64 28.09 22.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.525 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.548 ' H ' HG23 ' A' ' 33' ' ' THR . 31.1 ttm-85 -109.8 -33.43 6.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.485 ' N ' HD11 ' A' ' 15' ' ' LEU . 2.0 t -162.65 168.17 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.783 ' SG ' HG22 ' A' ' 5' ' ' THR . 70.7 m -71.98 -29.63 64.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -62.41 103.81 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.25 147.78 57.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.46 174.35 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.589 2.193 . . . . 0.0 112.309 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.2 t -131.49 31.67 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -145.31 149.38 41.08 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.43 -167.93 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.606 2.204 . . . . 0.0 112.29 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -156.4 93.15 0.13 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m120 60.39 34.97 20.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.832 0.348 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.544 -179.958 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.852 0.358 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 28.5 mtt -134.01 -74.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -87.45 120.62 28.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.4 p -138.24 166.34 24.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.49 172.56 6.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.46 138.32 52.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.97 169.86 22.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.545 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.12 -20.93 48.56 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.683 2.255 . . . . 0.0 112.612 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.87 41.26 1.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.21 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.8 p -179.44 124.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -105.84 107.82 19.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.8 59.65 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 65.4 m 59.78 34.02 21.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.84 84.68 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.528 ' O ' HD12 ' A' ' 15' ' ' LEU . 3.2 pp -63.61 131.18 47.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.8 163.8 6.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.05 145.76 68.51 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.569 2.179 . . . . 0.0 112.282 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.19 132.72 53.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.165 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.04 -28.26 9.99 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.527 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.0 m -62.91 122.96 17.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 t -60.6 117.59 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 80.0 m -60.26 -31.49 70.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -168.58 99.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.608 ' O ' HG23 ' A' ' 25' ' ' THR . 13.6 ttp180 -91.62 167.64 12.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 24' ' ' ARG . 1.6 p -162.78 -77.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.41 -39.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.947 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 p -106.13 -31.23 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.4 p -108.13 154.39 21.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 t -159.43 132.35 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -143.22 130.73 21.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -110.73 148.63 31.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.52 172.22 8.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 t -100.08 -31.26 11.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.99 27.72 13.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -135.78 -46.22 0.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.968 0.413 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -136.17 166.32 23.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.826 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.1 m -72.35 -28.13 62.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -56.88 96.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.968 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.6 t -106.15 88.14 2.94 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.96 177.01 5.43 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.537 2.158 . . . . 0.0 112.343 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 p -97.05 61.99 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -106.99 78.99 0.63 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.95 179.87 3.49 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.618 2.212 . . . . 0.0 112.285 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.28 -144.23 11.57 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.535 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -106.46 32.84 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.769 0.318 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.522 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.872 0.368 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.1 ttt -150.55 79.77 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -70.87 163.66 26.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.7 t -177.17 -39.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.406 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 61.25 113.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.933 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.1 p -129.71 151.98 49.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.33 179.92 35.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.84 -26.14 19.33 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.639 2.226 . . . . 0.0 112.423 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -94.09 45.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 p -177.47 164.94 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -101.23 -169.43 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.65 89.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.026 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 63.08 58.15 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -176.5 118.74 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -81.51 137.57 35.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.598 ' HD3' HG21 ' A' ' 20' ' ' THR . 13.8 mttm -73.6 162.16 75.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.25 144.74 37.86 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.604 2.203 . . . . 0.0 112.369 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.49 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -60.47 126.03 25.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.9 33.62 5.73 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.522 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.598 HG21 ' HD3' ' A' ' 16' ' ' LYS . 70.0 m -99.18 115.67 29.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.22 114.21 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.8 p -118.08 -40.65 2.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -116.16 127.54 54.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -177.01 111.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 p -97.43 -36.55 10.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -178.32 -39.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -116.05 -36.32 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.131 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 t -64.03 89.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -97.33 78.21 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.416 ' CE1' ' HG3' ' A' ' 43' ' ' PRO . 1.5 m-70 -95.18 179.22 5.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 30' ' ' HIS . 46.9 m-85 -147.82 150.9 35.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.07 146.13 44.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 38' ' ' GLU . 53.5 p -60.28 -39.68 87.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.533 ' O ' HD12 ' A' ' 15' ' ' LEU . . . 96.57 -28.39 13.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.491 ' C ' HD13 ' A' ' 15' ' ' LEU . 10.8 ttp85 -114.69 -34.82 5.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.767 0.318 . . . . 0.0 110.984 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 m -111.0 172.69 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.001 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.406 ' SG ' HG22 ' A' ' 5' ' ' THR . 4.2 m -83.53 -24.59 31.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.666 ' O ' HG23 ' A' ' 33' ' ' THR . 3.7 mt-10 -56.46 131.48 48.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.051 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.412 ' CB ' ' CD ' ' A' ' 40' ' ' PRO . 1.3 m -72.82 -60.89 1.76 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 39' ' ' CYS . 57.3 Cg_endo -71.13 139.88 36.46 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.508 2.139 . . . . 0.0 112.361 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.562 ' OG ' HG22 ' A' ' 33' ' ' THR . 88.1 p -177.37 80.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 61.55 89.19 0.11 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HG3' ' CE1' ' A' ' 30' ' ' HIS . 58.4 Cg_exo -51.57 -26.83 23.5 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.556 2.17 . . . . 0.0 112.39 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.91 77.72 1.45 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -166.91 126.99 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.329 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.498 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.774 0.321 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.1 mmm -60.28 128.91 39.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.56 79.24 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 60.7 164.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.842 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.34 89.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.2 p -107.59 126.48 52.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.51 -176.08 38.04 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.78 -29.5 15.52 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.579 2.186 . . . . 0.0 112.372 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.5 t -98.37 31.04 2.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.8 p -173.38 109.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.37 135.26 52.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 60.26 41.28 16.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.8 t 61.19 35.66 18.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -135.06 100.66 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.32 138.06 56.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.63 142.97 97.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.43 145.84 44.4 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.482 2.121 . . . . 0.0 112.283 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.82 112.6 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.68 -28.17 1.31 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.27 173.58 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.814 0.34 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.6 OUTLIER -104.92 108.36 19.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -179.92 41.68 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.259 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.422 ' CD2' HG23 ' A' ' 33' ' ' THR . 81.9 t90 -177.23 122.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.166 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -126.32 149.49 49.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.754 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.89 -78.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.75 -42.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.0 m -71.79 -30.79 39.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.043 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.62 155.33 39.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.787 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -60.01 -79.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.65 ' O ' HG22 ' A' ' 21' ' ' THR . 70.8 t60 -158.43 72.95 0.63 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.627 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -122.54 129.95 52.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.06 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.11 129.41 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.422 HG23 ' CD2' ' A' ' 23' ' ' TRP . 15.8 p -63.15 -29.47 70.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.42 26.42 54.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.526 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -123.33 -41.29 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.372 . . . . 0.0 111.051 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 p -120.96 151.95 39.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.9 m -73.34 -21.47 60.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.72 133.68 47.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.844 0.354 . . . . 0.0 111.03 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.3 t -131.64 92.02 32.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -48.75 131.49 24.6 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.548 2.165 . . . . 0.0 112.36 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -31.85 68.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.77 108.74 1.28 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.066 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.41 -167.61 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.458 2.106 . . . . 0.0 112.381 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -139.09 -108.16 0.78 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 60.29 109.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.532 179.989 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.818 0.342 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.0 ttt -94.94 -31.63 13.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -163.94 37.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.4 t 61.89 152.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.595 HG21 ' OG ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -101.06 158.36 16.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.17 136.41 22.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.56 -162.0 34.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.07 -30.36 20.97 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.616 2.21 . . . . 0.0 112.293 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.12 36.28 1.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.34 162.95 14.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -170.41 106.41 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? 60.39 46.68 9.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 61.34 31.45 19.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.03 168.47 19.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.512 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -93.83 140.67 29.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -67.49 165.87 26.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.21 144.56 75.4 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.599 2.199 . . . . 0.0 112.275 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.75 113.5 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.061 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.4 24.86 4.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.615 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 21' ' ' THR . 11.0 m -94.5 164.43 12.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.414 ' N ' HG22 ' A' ' 20' ' ' THR . 0.6 OUTLIER -96.59 106.08 18.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.35 -68.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.443 ' CE3' ' CG2' ' A' ' 25' ' ' THR . 0.3 OUTLIER -110.89 179.14 4.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -148.76 108.83 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.443 ' CG2' ' CE3' ' A' ' 23' ' ' TRP . 28.4 p -131.66 -171.3 2.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.4 p -99.16 30.78 3.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.616 HG22 ' O ' ' A' ' 27' ' ' VAL . 14.8 p -177.78 38.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -177.31 146.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.1 p -111.0 -33.81 6.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 59.64 95.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -106.35 109.21 21.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.34 161.19 7.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 p -95.96 -41.73 8.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.0 28.11 7.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -110.62 -33.09 6.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.595 ' OG ' HG21 ' A' ' 5' ' ' THR . 3.0 t -148.19 172.04 14.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.1 m -72.65 -31.36 65.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -74.8 145.26 43.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.5 m -100.47 152.93 37.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.32 177.52 5.88 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.539 2.159 . . . . 0.0 112.282 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.4 p -121.55 34.92 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -136.8 85.88 22.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.24 151.7 16.69 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.539 2.159 . . . . 0.0 112.32 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.21 -158.98 21.86 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -95.84 -34.06 12.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.517 -179.987 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.772 0.32 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.5 mmt -73.83 148.08 42.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -103.79 179.53 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.3 m -92.76 103.24 15.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.585 HG21 ' H ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -60.75 154.03 22.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -136.23 135.77 39.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.69 178.04 33.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.479 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -78.92 56.11 5.86 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.687 2.258 . . . . 0.0 112.537 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -171.93 33.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.068 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -176.95 -175.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -108.41 -167.85 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -59.06 -30.84 68.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.3 m -160.26 40.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -158.22 120.2 3.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.561 HD11 ' CA ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -78.7 137.2 37.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -67.01 148.17 98.94 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.91 142.55 52.25 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.516 2.144 . . . . 0.0 112.294 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.33 101.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.84 -27.31 0.93 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.543 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.6 159.28 8.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.814 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -110.39 134.15 52.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.5 p -99.09 -40.91 7.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -133.13 114.85 14.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.52 99.33 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.7 p -74.84 -34.12 62.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.01 -39.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 28' ' ' SER . 11.2 p -123.38 -41.37 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.175 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.429 ' N ' HG13 ' A' ' 27' ' ' VAL . 13.6 m -60.8 157.09 15.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.941 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.409 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 10.0 p -176.6 103.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -70.61 -38.87 74.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.814 ' CE2' HG23 ' A' ' 21' ' ' THR . 32.1 m-85 60.76 157.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -117.62 126.84 53.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 p -64.51 -29.73 70.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.12 25.99 6.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -114.19 -35.87 4.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.561 ' CA ' HD11 ' A' ' 15' ' ' LEU . 24.4 t -147.55 162.92 38.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.585 ' H ' HG21 ' A' ' 5' ' ' THR . 1.8 t -71.91 -28.47 63.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.961 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.52 128.15 34.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.37 149.21 36.94 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.37 129.73 17.43 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.554 2.17 . . . . 0.0 112.328 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -67.81 -31.61 71.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.44 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -91.03 147.41 35.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 42' ' ' TYR . 56.2 Cg_endo -70.37 171.32 15.35 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.557 2.171 . . . . 0.0 112.307 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.49 95.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.519 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -146.77 -48.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.422 -1.21 . . . . 0.0 112.496 -179.983 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.84 0.352 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 9.7 ttt 60.41 83.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.72 179.13 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.704 ' O ' HG23 ' A' ' 5' ' ' THR . 6.3 p -111.26 -34.06 6.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.704 HG23 ' O ' ' A' ' 4' ' ' CYS . 0.6 OUTLIER -173.13 100.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.3 p -128.11 121.39 29.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.61 -173.56 37.17 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.546 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.95 -27.28 17.68 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.6 2.2 . . . . 0.0 112.416 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.2 t -98.33 32.59 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.3 p -177.0 138.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -149.32 140.51 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 60.84 42.21 13.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.4 t 61.28 37.49 17.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -148.49 124.48 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.587 HD23 ' H ' ' A' ' 15' ' ' LEU . 1.1 pt? -67.75 148.2 51.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -69.43 159.57 82.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.59 144.33 54.57 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.583 2.189 . . . . 0.0 112.286 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.04 98.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 150.2 -28.25 1.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.433 HG22 ' H ' ' A' ' 21' ' ' THR . 0.4 OUTLIER -63.12 172.31 1.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.919 -179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.85 HG22 ' O ' ' A' ' 30' ' ' HIS . 2.0 p -101.14 148.18 25.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.7 t -90.34 -70.59 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.647 ' CZ2' HG21 ' A' ' 25' ' ' THR . 1.8 t90 -93.22 91.81 7.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.7 tpp85 -81.9 77.48 8.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.647 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 0.6 OUTLIER -105.3 -16.52 14.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.18 179.957 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 t 75.06 31.87 0.81 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.895 0.379 . . . . 0.0 110.623 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 m -113.32 -32.85 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.49 -169.97 3.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.1 m -119.07 102.29 8.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.85 ' O ' HG22 ' A' ' 21' ' ' THR . 23.0 m170 -119.96 164.12 16.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -157.13 159.62 37.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -97.14 152.28 18.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.0 p -76.75 -47.93 20.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.68 25.17 4.68 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.584 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.7 mtm-85 -113.31 -34.85 5.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 t -155.12 172.36 18.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.5 t -72.07 -31.17 65.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.44 84.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.8 p -59.98 149.57 73.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.21 174.97 9.11 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.572 2.181 . . . . 0.0 112.313 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -117.39 31.83 6.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -117.55 150.13 46.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.19 63.04 2.04 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.546 2.164 . . . . 0.0 112.299 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.01 83.56 0.18 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -168.23 97.28 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.503 179.988 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.798 0.333 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 44.4 ttm 60.7 109.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -152.36 35.75 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.4 m 60.55 82.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.3 p -60.45 117.36 5.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 t -132.03 149.55 52.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.7 -149.18 14.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.534 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.2 -46.67 0.97 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.626 2.217 . . . . 0.0 112.42 -179.859 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.668 ' SG ' HD21 ' A' ' 15' ' ' LEU . 26.2 t -87.03 5.84 35.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.465 -179.889 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.9 m -125.7 165.46 18.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.816 0.341 . . . . 0.0 110.795 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 -87.64 -79.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.774 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -152.82 21.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 179.834 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.0 t 178.51 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -120.14 151.38 39.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.967 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 16' ' ' LYS . 4.5 tt -85.27 155.98 21.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.905 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.687 ' O ' HD23 ' A' ' 15' ' ' LEU . 17.8 mttt -72.75 162.8 72.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.01 143.26 41.17 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.488 2.125 . . . . 0.0 112.323 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.41 128.33 33.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.217 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.89 -25.18 7.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.847 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -58.36 154.84 12.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.349 . . . . 0.0 110.948 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -89.7 123.06 33.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.46 -43.65 96.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 26.2 t90 -158.71 79.86 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -60.69 136.06 57.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.4 p -156.2 -174.15 4.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.2 m -107.98 66.82 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 p -177.98 -38.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 t -165.53 167.04 17.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.26 150.18 48.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -106.53 -32.17 8.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.978 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 60.47 172.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 91.5 m -125.32 161.12 27.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -116.39 -39.11 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.69 32.11 5.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.5 mtt85 -123.71 -43.25 2.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.15 157.02 42.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.821 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.435 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -71.26 -25.88 62.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.24 86.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.807 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.8 m -58.8 147.8 70.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.26 177.26 6.81 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.57 2.18 . . . . 0.0 112.354 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p -134.68 31.63 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -136.66 87.53 20.62 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.53 114.21 3.59 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.586 2.191 . . . . 0.0 112.286 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.63 50.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -85.8 141.25 29.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.328 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.468 179.984 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.87 0.367 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 20.3 ttm 61.94 151.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.0 t0 68.19 -70.02 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 116.31 4.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.23 85.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.1 p -121.76 134.11 54.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.76 -168.84 40.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.616 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -57.38 -26.35 70.44 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.723 2.282 . . . . 0.0 112.531 -179.823 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.47 -49.81 5.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.917 0.389 . . . . 0.0 110.925 -179.885 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.9 m -66.94 154.39 41.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.804 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.5 -80.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 33.1 tt0 -112.6 -28.26 7.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.671 179.78 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 34.9 t 179.4 37.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -137.17 132.28 33.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.722 HD21 ' O ' ' A' ' 36' ' ' SER . 0.5 OUTLIER -82.3 117.87 22.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -58.33 155.22 28.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.41 145.06 63.88 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.572 2.181 . . . . 0.0 112.332 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.15 140.34 53.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.157 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.87 -28.32 16.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.0 m -63.63 150.86 43.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.704 HG21 ' NE ' ' A' ' 24' ' ' ARG . 10.8 p -80.4 111.13 16.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.4 t -60.29 -31.67 70.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -167.89 83.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.704 ' NE ' HG21 ' A' ' 21' ' ' THR . 21.9 ttm180 -107.63 112.56 25.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.7 p -98.23 -36.25 10.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -178.49 -39.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.53 -41.11 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.184 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.3 t -75.29 76.41 2.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.27 97.64 11.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -84.68 -178.34 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -143.27 126.37 16.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.55 150.23 48.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 p -76.24 -62.3 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.43 -27.66 7.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.35 -31.49 10.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.344 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.722 ' O ' HD21 ' A' ' 15' ' ' LEU . 5.2 p -126.91 172.46 10.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.8 t -106.51 18.91 21.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -87.52 130.87 34.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -129.47 87.85 51.96 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.16 177.66 4.95 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.585 2.19 . . . . 0.0 112.304 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.61 45.35 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -120.41 80.97 30.19 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.82 85.3 0.63 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.575 2.183 . . . . 0.0 112.313 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.67 30.69 69.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.475 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 64.18 -78.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.753 0.311 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.352 -1.249 . . . . 0.0 112.482 -179.999 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.822 0.344 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -175.05 2.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t70 60.56 163.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.8 t -65.35 -31.43 72.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.901 HG22 ' HB2' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 60.91 75.83 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.962 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.06 148.99 22.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.02 159.02 16.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.527 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.96 -26.42 40.26 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.668 2.246 . . . . 0.0 112.381 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.4 t -72.37 -59.59 2.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.3 m -59.18 152.91 19.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -98.11 -70.48 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -122.8 71.58 1.04 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.8 t 59.82 31.3 20.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -133.07 129.7 38.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.41 HD21 ' N ' ' A' ' 37' ' ' CYS . 10.7 mt -69.86 130.07 41.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -72.79 149.44 90.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.51 137.65 57.57 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.583 2.189 . . . . 0.0 112.331 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.05 90.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.084 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.95 -28.24 1.27 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 21' ' ' THR . 18.3 m -60.23 163.43 4.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.419 HG22 ' CD2' ' A' ' 31' ' ' TYR . 5.6 p -101.43 137.48 39.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.7 p -109.51 -40.43 4.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -97.33 128.31 44.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.698 ' O ' HG23 ' A' ' 25' ' ' THR . 10.2 ttt85 -135.13 116.46 14.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -168.19 -179.14 3.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.933 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.5 t -98.83 31.36 2.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -111.19 -32.94 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 t -176.72 -170.13 0.31 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 t -137.36 127.07 25.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -130.69 173.69 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.419 ' CD2' HG22 ' A' ' 21' ' ' THR . 80.7 m-85 -146.67 138.73 24.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.11 130.67 43.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.576 HG22 ' HA2' ' A' ' 46' ' ' GLY . 33.2 p -60.33 -37.3 80.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.57 -28.56 12.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -72.44 -31.64 65.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.838 0.351 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -136.98 166.13 24.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.901 ' HB2' HG22 ' A' ' 5' ' ' THR . 6.2 t -72.03 -30.53 65.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.7 162.6 6.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -128.32 88.31 52.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -69.07 163.92 35.87 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.558 2.172 . . . . 0.0 112.314 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.9 p -94.63 45.81 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -114.47 87.43 13.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.23 -176.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.57 2.18 . . . . 0.0 112.322 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.47 28.65 51.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 60.49 82.8 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.341 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.576 ' HA2' HG22 ' A' ' 33' ' ' THR . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.806 0.336 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 60.55 85.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -151.22 173.65 14.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.0 t 60.42 158.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.4 p -90.45 130.87 36.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.0 p -132.28 158.93 40.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.27 -178.61 40.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.05 -29.45 22.44 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.606 2.204 . . . . 0.0 112.32 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.2 t -74.57 -59.68 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.0 p -77.07 167.15 22.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.89 124.75 28.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 63.84 -79.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -160.33 76.34 0.6 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -170.2 100.04 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.57 120.3 10.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -66.86 151.42 96.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.24 142.57 45.74 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.58 2.187 . . . . 0.0 112.319 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.11 118.24 6.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.22 28.42 5.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.567 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.9 m -108.55 142.64 38.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 p -69.98 121.7 17.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.2 p -103.91 -43.38 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -106.47 122.14 45.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -156.26 90.36 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.4 t -86.27 -36.49 19.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.3 p -177.08 -40.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 p -119.52 -38.79 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.2 m -62.68 157.46 20.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.2 m -170.7 78.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -92.3 138.55 31.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -78.97 172.24 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -95.31 143.28 26.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.816 HG23 ' HD3' ' A' ' 40' ' ' PRO . 1.7 p -60.3 -41.09 92.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.03 -29.17 11.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -94.77 -32.94 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.7 t -133.82 168.76 18.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.9 m -72.21 -31.64 66.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -64.46 146.15 54.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 m -106.24 149.65 38.45 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.816 ' HD3' HG23 ' A' ' 33' ' ' THR . 56.2 Cg_endo -70.27 146.49 57.21 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.586 2.191 . . . . 0.0 112.338 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.2 t -88.05 -31.41 19.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -114.56 87.34 14.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.14 134.6 50.55 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.578 2.185 . . . . 0.0 112.301 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.34 -173.36 2.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.525 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -60.6 152.26 26.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.492 -179.999 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.879 0.371 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.51 35.45 4.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -143.4 37.76 1.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -177.97 -38.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.856 HG22 ' HB2' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 64.96 109.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.977 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.1 p -131.77 128.57 39.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.793 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.48 -159.95 22.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.618 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -55.99 -62.63 0.23 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.703 2.269 . . . . 0.0 112.472 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.56 -80.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.8 p -50.68 127.02 17.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.49 -75.22 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.876 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -91.29 50.29 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.3 m 59.38 31.18 20.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -127.41 106.24 9.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 tp -59.93 118.61 6.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 149.39 97.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.26 144.4 39.24 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.53 2.154 . . . . 0.0 112.357 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 33' ' ' THR . . . -57.81 98.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.94 -27.79 0.4 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.9 156.41 14.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.57 154.33 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.46 -66.41 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -128.15 78.63 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -105.2 80.35 1.59 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 t -74.93 -35.54 62.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 p -178.45 -39.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 28' ' ' SER . 11.3 p -125.05 -41.89 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.217 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.437 ' N ' HG13 ' A' ' 27' ' ' VAL . 2.0 m -60.23 166.24 3.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 60.7 p -176.5 94.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -84.53 -31.76 24.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 29' ' ' SER . 52.3 m-85 60.62 171.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 m -129.75 127.86 41.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.435 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 4.5 t -71.51 -30.43 65.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.41 27.65 7.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -111.71 -33.86 6.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.0 t -160.51 162.26 32.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.856 ' HB2' HG22 ' A' ' 5' ' ' THR . 0.6 OUTLIER -72.05 -26.82 62.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.992 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.47 114.58 2.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.965 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.66 87.28 2.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.6 167.33 24.55 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.583 2.188 . . . . 0.0 112.317 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 t -85.69 57.14 4.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -148.53 71.25 10.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.68 -176.15 1.64 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.573 2.182 . . . . 0.0 112.259 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -105.14 148.22 16.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.527 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -98.58 138.78 35.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.489 -179.983 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.851 0.358 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 11.4 ttm -159.87 -61.83 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.8 -173.3 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p -154.83 82.18 1.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.831 HG21 ' HB2' ' A' ' 15' ' ' LEU . 0.2 OUTLIER 60.41 107.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.87 150.07 30.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.76 -150.68 22.97 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.517 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.23 -45.39 0.88 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.646 2.231 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.03 39.44 1.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 91.9 m -128.16 178.8 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -150.31 -167.54 2.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -62.23 83.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 t 59.92 36.63 21.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.88 116.64 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.831 ' HB2' HG21 ' A' ' 5' ' ' THR . 4.6 tt -70.11 148.96 48.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.62 ' N ' HD23 ' A' ' 15' ' ' LEU . 29.8 mmtp -67.76 155.4 91.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.44 144.45 55.8 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.542 2.162 . . . . 0.0 112.296 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.501 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -58.82 134.92 57.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.59 -28.38 11.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.56 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.4 m -62.15 126.33 26.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -62.57 135.02 57.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.4 m -65.27 -53.84 38.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -102.7 -36.91 8.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.41 72.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.465 HG22 ' H ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -115.34 -173.85 2.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.465 ' H ' HG22 ' A' ' 25' ' ' THR . 26.3 t -64.05 -31.3 72.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 27' ' ' VAL . 11.5 p -160.12 50.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 m -146.88 36.17 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.837 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.3 m -71.22 118.91 14.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -98.33 -31.28 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 63.05 121.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.07 158.22 11.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.405 HG23 ' HG2' ' A' ' 35' ' ' ARG . 9.8 t -81.29 -41.3 22.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.501 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 98.59 40.38 3.42 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.539 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.405 ' HG2' HG23 ' A' ' 33' ' ' THR . 8.7 ptm180 -171.51 -41.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.965 0.412 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.51 ' C ' HD11 ' A' ' 15' ' ' LEU . 44.1 t -133.69 165.18 25.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -29.97 64.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.38 95.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.9 m -60.05 150.19 71.22 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.36 176.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.596 2.197 . . . . 0.0 112.295 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 m -109.54 -28.67 8.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -103.96 90.33 2.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.7 -27.18 32.26 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.561 2.174 . . . . 0.0 112.28 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.75 85.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.476 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 60.54 30.77 20.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.377 -1.235 . . . . 0.0 112.451 -179.932 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.775 0.321 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.9 ttt -60.23 -31.7 70.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -157.54 160.49 38.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.2 t -177.55 -39.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.853 HG21 HD12 ' A' ' 15' ' ' LEU . 0.5 OUTLIER 60.41 106.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m -124.84 148.82 48.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.65 -157.63 27.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.9 -31.86 19.09 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.52 2.147 . . . . 0.0 112.325 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.92 31.05 3.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.7 m -136.46 115.98 12.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -97.53 82.67 3.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 60.87 70.96 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 59.95 35.66 21.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -147.02 101.82 3.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.853 HD12 HG21 ' A' ' 5' ' ' THR . 0.8 OUTLIER -62.59 143.85 56.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -79.35 151.25 74.9 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.03 143.54 40.34 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.594 2.196 . . . . 0.0 112.348 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 126.2 26.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.92 28.53 9.96 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.8 m -105.4 144.22 32.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.41 120.39 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.0 m -69.81 -52.07 28.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -130.74 97.88 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -88.02 130.28 35.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.2 p -149.95 -78.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.0 t -177.63 -39.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -87.18 -31.41 5.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.09 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.0 m -137.41 176.57 8.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.41 -44.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.0 m170 60.4 -177.41 0.1 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -146.75 120.39 9.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.81 169.29 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 t -99.94 -36.34 9.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.78 -29.07 11.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.449 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.7 mmm-85 -73.36 -32.88 64.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.411 ' C ' HD11 ' A' ' 15' ' ' LEU . 73.2 p -144.55 166.76 24.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.11 -30.43 65.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.28 117.92 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.3 t -85.92 136.87 35.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -52.08 141.03 48.98 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.437 2.091 . . . . 0.0 112.351 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.57 36.07 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.427 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -127.09 147.58 62.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 42' ' ' TYR . 56.0 Cg_endo -70.35 170.67 16.71 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.496 2.13 . . . . 0.0 112.297 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.26 159.36 27.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -61.08 131.52 50.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.487 179.945 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.821 0.343 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.9 mtt -142.01 80.02 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -176.53 125.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.2 p -164.72 170.4 15.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.642 HG21 HD12 ' A' ' 15' ' ' LEU . 4.2 p -59.77 120.92 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m -128.45 148.92 50.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.86 -169.41 25.63 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.493 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.32 -34.95 72.8 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.59 2.193 . . . . 0.0 112.352 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.16 28.91 3.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.007 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.9 m -147.38 130.97 16.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -108.96 111.27 22.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.797 179.935 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 64.15 -79.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.4 t -147.16 36.9 0.93 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -143.72 141.16 30.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.642 HD12 HG21 ' A' ' 5' ' ' THR . 0.8 OUTLIER -88.1 138.35 31.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' N ' HD23 ' A' ' 15' ' ' LEU . 20.4 mmtt -60.32 155.07 49.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.39 144.39 55.82 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.545 2.163 . . . . 0.0 112.331 179.956 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.71 137.38 57.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.0 -28.22 14.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.2 m -60.06 133.14 55.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.954 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.6 p -78.68 133.37 37.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.17 -31.64 72.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -168.45 127.76 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.4 ttt-85 -134.57 100.55 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.05 -33.12 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -176.44 -77.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.59 -32.34 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.119 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.27 79.63 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.7 m -104.89 114.39 28.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -97.08 169.54 9.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -137.87 112.44 8.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.5 t -60.11 131.98 52.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.07 -40.91 91.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.5 -28.04 14.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.8 mtt85 -92.01 -32.1 15.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.5 m -133.36 157.38 45.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.24 -25.66 61.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -57.28 130.47 46.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.047 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -110.97 89.28 9.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -68.89 145.87 63.65 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.56 2.173 . . . . 0.0 112.24 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.28 57.27 4.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -128.14 79.03 74.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.16 -178.23 2.39 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.569 2.179 . . . . 0.0 112.31 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 173.05 118.66 0.5 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -130.87 173.55 10.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.493 -179.978 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.84 0.352 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.1 mtt 60.56 94.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -144.52 131.05 19.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.86 -33.98 45.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.704 ' O ' HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER 59.8 162.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.963 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.704 HG23 ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -169.79 143.86 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.998 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.7 -173.96 38.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.592 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.24 -22.36 22.25 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.628 2.218 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.3 t -95.66 40.08 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.056 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.9 p -177.44 169.12 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.76 160.55 34.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 60.44 30.57 19.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.64 35.43 22.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -145.52 124.53 12.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.486 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -59.39 129.89 44.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.625 ' HE2' HG21 ' A' ' 20' ' ' THR . 13.2 mttt -59.89 162.03 10.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.23 145.91 61.71 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.535 2.157 . . . . 0.0 112.307 179.928 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.61 91.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.183 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.1 -29.15 0.25 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.625 HG21 ' HE2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -63.18 172.25 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.851 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.482 ' O ' HG23 ' A' ' 21' ' ' THR . 10.2 t -127.72 114.88 17.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.0 p -59.09 -21.3 58.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.494 ' CD1' HG22 ' A' ' 25' ' ' THR . 1.1 t-105 66.71 91.65 0.08 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.579 ' HG3' ' CE1' ' A' ' 30' ' ' HIS . 4.0 mmt85 -76.84 -29.07 55.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.029 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.494 HG22 ' CD1' ' A' ' 23' ' ' TRP . 9.2 p 55.69 28.02 11.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.059 -179.896 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.7 t -126.95 -49.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.798 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.9 m -136.34 10.31 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.659 179.878 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.65 176.1 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.84 0.352 . . . . 0.0 110.954 179.81 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.2 m 58.35 89.89 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.016 179.92 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.579 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 21.7 m80 -161.41 104.14 1.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -123.55 172.34 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 29.8 m -117.06 154.39 31.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.6 p -105.93 29.48 6.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 57.68 27.68 59.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.618 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.71 -33.06 11.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.832 0.349 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -176.81 172.64 2.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.5 m -71.67 -29.87 65.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -66.44 102.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 147.78 79.93 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.79 172.13 14.24 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.528 2.152 . . . . 0.0 112.264 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m -100.54 31.5 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.436 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -145.74 146.55 29.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 42' ' ' TYR . 56.9 Cg_endo -70.79 -26.96 22.17 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.527 2.152 . . . . 0.0 112.315 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.21 -139.88 14.73 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.481 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -86.95 151.48 23.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.339 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.489 -179.983 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.83 0.348 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -77.79 -64.82 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -167.18 88.05 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.404 ' CB ' ' HA ' ' A' ' 13' ' ' CYS . 17.6 m -61.14 -169.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.1 94.9 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.853 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.88 141.45 30.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.32 -172.63 41.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.07 -21.83 20.11 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.612 2.208 . . . . 0.0 112.591 -179.907 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -95.54 21.84 7.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.298 -179.899 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.1 m -146.45 171.31 15.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.881 0.372 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -100.29 -78.77 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.699 179.861 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.429 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -138.55 6.43 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.621 179.964 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 41.8 t 176.38 -33.11 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.775 0.322 . . . . 0.0 111.116 179.884 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.63 130.2 54.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.718 -179.854 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.553 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.0 pp -79.55 156.54 27.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 -179.886 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.553 ' O ' HD12 ' A' ' 15' ' ' LEU . 29.9 mttt -77.64 152.15 80.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -51.79 145.03 32.77 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.611 2.207 . . . . 0.0 112.304 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.563 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -58.49 115.68 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.42 -27.59 2.97 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.72 150.59 27.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -70.98 137.91 49.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.53 -31.68 14.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -157.77 116.09 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.69 132.35 44.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 t -176.45 161.74 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -88.27 54.52 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -151.92 -45.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.185 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.6 m -152.81 176.67 11.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 p -151.06 112.7 4.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 43' ' ' PRO . 1.6 m80 -106.93 106.85 17.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -73.9 152.3 40.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.9 t -79.48 166.64 21.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.4 t -104.12 -44.62 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.563 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 105.14 -28.8 13.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.544 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.0 ptt180 -72.3 -31.53 65.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.08 170.69 21.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -31.03 65.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -59.73 114.49 2.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 m -92.17 166.49 17.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.06 151.44 16.47 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.597 2.198 . . . . 0.0 112.317 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.4 t -87.54 -32.76 19.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -94.35 149.65 37.02 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.44 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 55.6 Cg_endo -70.19 -168.16 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.551 2.168 . . . . 0.0 112.314 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -143.58 60.35 0.52 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -60.99 -71.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.423 -1.209 . . . . 0.0 112.529 179.968 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.764 0.316 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.18 140.78 58.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -73.05 -74.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.9 t -78.33 156.31 29.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.5 95.9 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.16 148.84 50.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.11 -153.01 24.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.536 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.5 -34.1 9.9 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.569 2.179 . . . . 0.0 112.37 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.3 t -98.38 30.5 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.0 m -134.31 129.38 35.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.15 -70.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -123.09 71.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.96 33.75 21.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.82 172.16 13.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.658 HD11 ' N ' ' A' ' 36' ' ' SER . 1.7 tt -100.6 126.8 47.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' N ' HD23 ' A' ' 15' ' ' LEU . 19.8 mttt -64.15 160.06 51.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 144.11 53.45 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.633 2.222 . . . . 0.0 112.282 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 33' ' ' THR . . . -59.25 106.54 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.939 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.5 -28.88 2.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.526 -179.949 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.3 m -72.9 144.63 47.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.803 0.335 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.496 HG21 ' HB3' ' A' ' 28' ' ' SER . 61.4 p -59.3 157.22 11.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.1 t -85.68 -27.13 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.044 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.407 ' O ' ' CG ' ' A' ' 23' ' ' TRP . 0.9 OUTLIER -154.42 122.46 5.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.889 179.854 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.503 ' O ' HG23 ' A' ' 25' ' ' THR . 0.0 OUTLIER -67.5 146.36 54.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.993 -179.952 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 24' ' ' ARG . 19.8 p -159.61 -44.94 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 p -176.99 -39.22 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 28' ' ' SER . 11.4 p -153.49 -44.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.21 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.496 ' HB3' HG21 ' A' ' 21' ' ' THR . 43.2 t 60.58 165.48 0.07 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -162.33 38.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -112.96 -56.96 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 62.64 147.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -90.9 170.67 9.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.501 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 62.7 p -103.61 -31.24 10.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.02 27.68 6.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.543 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.16 -32.88 6.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.658 ' N ' HD11 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -165.92 172.45 11.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -31.34 66.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -67.56 98.42 0.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.3 p -80.3 149.66 69.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.26 177.25 6.12 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.632 2.221 . . . . 0.0 112.304 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.18 -31.86 9.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -58.93 109.58 1.99 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.47 -171.86 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.439 2.093 . . . . 0.0 112.321 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.23 35.98 4.69 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.448 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.8 t30 68.46 -68.23 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.789 0.328 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.483 179.987 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.837 0.351 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.0 mmt -145.67 -68.04 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.42 141.4 56.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.5 p -89.94 80.47 6.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.56 82.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.2 p -136.28 141.99 43.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.72 -154.97 16.36 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.518 179.954 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.92 -28.36 24.6 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.589 2.192 . . . . 0.0 112.321 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.07 -56.93 3.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.9 m -59.8 147.31 38.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.85 -74.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -120.89 71.54 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.5 t 60.77 31.15 20.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -134.69 139.04 44.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.615 HD11 ' C ' ' A' ' 36' ' ' SER . 6.7 tp -79.84 131.68 35.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -63.66 149.36 92.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.31 144.07 40.91 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.59 2.193 . . . . 0.0 112.307 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.02 87.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.88 -28.17 1.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.546 -179.95 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 21' ' ' THR . 0.2 OUTLIER -60.22 172.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.319 . . . . 0.0 110.92 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.482 HG22 ' CD2' ' A' ' 31' ' ' TYR . 67.4 p -100.5 175.22 5.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.3 p -128.14 -45.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -135.03 79.24 1.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 ttp-105 -100.24 112.65 24.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.13 31.18 3.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.0 m 59.98 64.37 1.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 p -178.65 -38.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -133.01 168.88 17.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.0 m -160.79 82.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 65.5 m170 -73.61 -31.37 63.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.482 ' CD2' HG22 ' A' ' 21' ' ' THR . 9.0 m-85 61.1 155.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -113.11 125.54 54.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.3 p -71.59 -30.87 66.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.81 27.13 7.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.531 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -111.77 -33.84 6.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.615 ' C ' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -154.76 170.49 21.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.933 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.25 -31.53 65.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -66.08 119.29 11.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 149.42 67.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.05 177.4 5.82 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.554 2.169 . . . . 0.0 112.302 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.1 m -125.32 35.33 4.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -163.72 86.31 1.25 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.16 101.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.565 2.177 . . . . 0.0 112.333 179.99 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 142.62 45.56 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.538 -180.0 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -79.17 -64.78 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.332 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.387 -1.23 . . . . 0.0 112.506 179.958 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.844 0.354 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 6.8 mtt 60.45 80.97 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -104.66 158.94 16.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.6 m -105.26 -31.27 9.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 60.8 87.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.6 p -86.42 158.8 19.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.9 -172.34 32.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.544 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.26 -14.14 28.38 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.623 2.215 . . . . 0.0 112.654 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -96.83 30.22 2.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.792 0.33 . . . . 0.0 111.057 -179.949 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.2 p -175.81 171.28 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -127.85 -75.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -117.66 73.89 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.0 t 59.82 31.01 20.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -148.61 99.49 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 pp -60.1 147.89 37.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -74.34 158.21 85.59 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -51.97 144.47 36.35 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.573 2.182 . . . . 0.0 112.343 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.78 103.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.14 -27.33 1.41 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.59 130.74 48.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.849 0.356 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.29 161.03 7.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.1 t -106.63 -55.85 2.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.567 ' CD2' HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER -104.46 -33.79 8.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.961 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.2 ptp85 45.05 40.04 4.29 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.371 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.567 HG21 ' CD2' ' A' ' 23' ' ' TRP . 66.4 p -95.22 169.58 9.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.1 m -85.41 57.35 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -178.5 -38.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 m -130.93 108.85 10.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 t -95.85 79.64 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -79.81 146.44 32.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -131.31 150.68 52.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 t -72.67 172.29 10.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.7 p -109.99 -54.44 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.95 55.55 0.34 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -177.38 -39.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.0 p -122.73 172.47 8.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.8 t -123.71 30.09 6.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -111.39 91.92 3.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.69 110.04 2.32 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.37 176.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.431 2.088 . . . . 0.0 112.314 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.4 m -96.34 -31.61 12.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -78.71 150.68 76.15 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.93 -169.96 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.571 2.181 . . . . 0.0 112.327 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.64 132.47 1.85 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 60.51 109.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.495 -179.972 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.821 0.343 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.67 155.37 47.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 180.0 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -106.31 117.68 34.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -60.2 -169.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.16 92.43 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.3 p -137.61 159.22 42.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.49 -154.72 24.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.521 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.02 -34.88 12.89 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.566 2.177 . . . . 0.0 112.348 179.966 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.8 t -108.74 34.78 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -156.23 165.51 36.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -174.94 126.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 60.87 42.17 13.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.0 m 60.52 36.57 19.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -136.98 139.25 41.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.789 HD11 ' N ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -91.63 136.84 32.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -75.52 152.05 85.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.18 143.49 41.96 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.559 2.173 . . . . 0.0 112.306 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.97 140.99 56.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.74 -28.48 15.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.9 m -60.64 128.83 38.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.506 HG22 ' HB3' ' A' ' 29' ' ' SER . 11.9 p -60.24 153.98 21.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 p -131.82 35.15 3.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -164.66 -69.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 59.81 89.81 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.89 -44.38 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -165.09 -43.2 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 28' ' ' SER . 11.3 p -155.47 -44.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.204 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.473 ' N ' HG13 ' A' ' 27' ' ' VAL . 24.5 m -60.34 97.25 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.506 ' HB3' HG22 ' A' ' 21' ' ' THR . 57.8 m -86.23 108.76 18.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -60.7 -31.21 70.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 29' ' ' SER . 23.5 m-85 61.24 154.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.7 t -109.31 151.03 27.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.61 HG23 ' HD3' ' A' ' 40' ' ' PRO . 63.2 p -62.69 -60.43 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 134.56 -27.38 3.23 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.531 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -124.99 30.75 5.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.758 0.313 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.789 ' N ' HD11 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -158.04 144.42 17.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.838 179.984 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 74.5 m -72.96 -18.8 61.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.044 179.941 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -102.09 161.81 13.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.874 0.369 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.2 m -116.41 151.57 47.08 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.61 ' HD3' HG23 ' A' ' 33' ' ' THR . 56.9 Cg_endo -70.69 171.66 15.05 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.547 2.165 . . . . 0.0 112.362 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.8 m -98.72 31.39 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -137.57 87.68 17.32 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_exo -51.89 -26.96 26.07 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.54 2.16 . . . . 0.0 112.319 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.4 161.69 23.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -106.6 -31.19 8.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.554 -179.964 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.832 0.348 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.29 93.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -133.61 31.6 3.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -154.78 -169.71 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.7 p -130.66 116.71 18.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -129.89 136.49 49.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.65 -169.12 36.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.67 -25.44 20.66 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.565 2.177 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.9 29.46 3.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.043 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.1 p -177.2 121.6 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -115.65 134.12 55.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 60.74 40.05 16.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 m 61.24 31.98 19.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.63 115.67 21.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.542 HD21 ' HA ' ' A' ' 36' ' ' SER . 1.0 OUTLIER -60.14 141.83 55.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.77 ' HD2' HG21 ' A' ' 20' ' ' THR . 3.8 mttt -86.37 157.97 55.39 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.0 143.36 72.11 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.559 2.173 . . . . 0.0 112.291 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.38 111.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.73 25.25 4.33 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.605 179.998 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.77 HG21 ' HD2' ' A' ' 16' ' ' LYS . 21.5 m -93.02 163.29 13.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.422 ' N ' HG22 ' A' ' 20' ' ' THR . 1.0 OUTLIER -74.09 105.44 5.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.944 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.5 t -60.02 -66.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -148.12 104.48 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.36 96.68 5.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.2 p -100.69 -37.62 8.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.3 t -178.79 -39.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.75 -36.25 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.178 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 t -62.0 154.18 27.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 p -176.66 79.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -107.25 -176.91 3.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -136.85 149.61 47.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.8 135.43 34.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 35' ' ' ARG . 8.8 t -74.31 -41.5 61.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.97 179.956 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.89 26.01 5.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.545 179.928 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.407 ' H ' HG23 ' A' ' 33' ' ' THR . 0.4 OUTLIER -112.59 -34.5 5.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 179.972 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.542 ' HA ' HD21 ' A' ' 15' ' ' LEU . 13.1 t -160.58 171.0 19.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.976 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -31.16 65.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.37 104.84 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.55 146.3 80.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.74 176.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.516 2.144 . . . . 0.0 112.325 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.66 -31.59 7.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -84.27 153.98 62.87 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.41 62.81 2.15 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.571 2.181 . . . . 0.0 112.316 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.6 80.83 0.12 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.526 -179.983 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -176.46 154.87 1.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.45 179.939 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.82 0.343 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.9 mtt -128.9 162.39 27.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -60.14 -51.09 71.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m 64.13 -76.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.057 179.967 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.91 131.7 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.7 p -124.72 146.8 48.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.65 179.71 48.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.51 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.06 63.04 1.96 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.598 2.199 . . . . 0.0 112.32 179.989 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.2 t -166.23 -65.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.0 p -69.85 177.18 3.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.7 mmt-85 -137.84 96.72 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 60.82 69.4 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.7 t 57.87 65.16 1.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.22 80.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 mt -58.02 111.46 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.896 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 mmtm -67.26 148.84 98.69 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.18 143.16 43.19 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.568 2.178 . . . . 0.0 112.352 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.47 98.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.76 -28.28 0.75 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.5 m -60.05 136.31 57.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.326 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.404 HG22 ' CE2' ' A' ' 31' ' ' TYR . 68.8 p -75.58 125.85 29.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.22 -40.19 89.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.696 ' NE1' HG23 ' A' ' 25' ' ' THR . 23.5 t-105 60.35 98.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -62.62 -27.72 69.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.91 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.696 HG23 ' NE1' ' A' ' 23' ' ' TRP . 0.2 OUTLIER 64.75 39.88 6.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 179.977 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.4 p -144.74 -49.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 179.922 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 27' ' ' VAL . 14.5 p -178.72 37.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.051 179.943 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' ' CZ3' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -177.87 177.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.966 179.955 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.1 t -145.88 126.65 14.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -103.61 -177.32 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.404 ' CE2' HG22 ' A' ' 21' ' ' THR . 35.5 m-85 -130.07 130.37 44.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.7 149.21 49.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.05 -63.19 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.69 -28.62 2.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -84.15 -33.69 24.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.949 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -144.84 158.67 43.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 81.9 m -72.0 -26.43 62.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -67.37 111.54 4.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.03 153.23 96.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.53 175.33 8.05 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.552 2.168 . . . . 0.0 112.296 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 t -77.88 -32.84 52.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -89.52 150.16 43.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.33 -27.03 24.25 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.548 2.165 . . . . 0.0 112.368 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.55 143.11 10.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.983 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -135.35 35.22 2.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.796 0.331 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.503 179.994 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.842 0.353 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.3 ttt -132.42 104.19 6.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -132.71 169.6 16.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.1 p -161.41 -173.79 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 t -75.08 163.68 27.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -177.25 154.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.43 -156.49 27.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 -179.931 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.96 -37.08 1.71 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.662 2.241 . . . . 0.0 112.551 -179.829 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.6 t -84.66 56.88 4.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.042 -179.808 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 p 176.24 169.33 0.44 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.867 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -122.5 85.47 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.826 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 60.59 72.43 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.4 t 61.53 69.99 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.81 -179.903 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -177.83 98.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.497 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -57.92 133.97 55.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.029 179.985 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -73.51 154.38 89.75 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.36 144.05 41.49 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.576 2.184 . . . . 0.0 112.303 179.95 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.84 113.78 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.62 -27.8 3.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -59.89 164.19 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.879 HG22 ' O ' ' A' ' 30' ' ' HIS . 1.2 p -105.28 151.83 23.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.7 m -90.34 -74.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.496 ' CH2' HG21 ' A' ' 25' ' ' THR . 12.1 t90 -102.7 150.35 23.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -155.06 84.83 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.496 HG21 ' CH2' ' A' ' 23' ' ' TRP . 3.4 t -97.92 -38.4 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.6 t -179.2 -39.47 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -121.96 -40.18 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.153 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.426 ' HB2' ' CE3' ' A' ' 23' ' ' TRP . 22.4 m -79.29 100.29 7.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.1 p -97.5 -34.39 11.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.879 ' O ' HG22 ' A' ' 21' ' ' THR . 5.1 m170 59.39 162.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 30' ' ' HIS . 45.6 m-85 -150.55 102.93 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.27 172.19 1.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.7 t -109.45 -31.23 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.47 26.84 8.98 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.57 -179.955 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -112.43 -34.27 5.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.82 172.25 18.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.4 m -72.3 -29.73 64.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -59.29 102.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 80.7 m -59.64 148.86 73.62 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.61 177.5 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.527 2.152 . . . . 0.0 112.292 -179.95 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.401 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 5.8 p -124.93 31.49 5.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.401 ' CG ' ' O ' ' A' ' 41' ' ' SER . 6.4 m-85 -170.81 87.39 0.5 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.436 ' HG3' ' CD2' ' A' ' 30' ' ' HIS . 54.4 Cg_exo -51.89 -27.15 26.69 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.577 2.184 . . . . 0.0 112.38 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.97 137.0 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -106.54 -55.11 2.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.844 0.354 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.429 -1.206 . . . . 0.0 112.518 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.825 0.345 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.556 HG21 ' HG2' ' A' ' 38' ' ' GLU . 6.8 m -60.27 146.83 42.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.79 172.07 7.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.13 -163.66 29.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.519 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.22 167.5 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.624 2.216 . . . . 0.0 112.31 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.5 m 60.09 32.35 20.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.56 175.87 9.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -169.0 90.14 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 60.7 60.69 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 60.12 31.46 20.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.01 117.77 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.501 HD22 ' HA ' ' A' ' 35' ' ' ARG . 3.7 pp -60.2 151.57 26.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -86.48 160.39 51.0 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.17 143.69 41.08 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.57 2.18 . . . . 0.0 112.317 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.81 127.11 30.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.66 28.23 6.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 21' ' ' THR . 48.8 m -96.16 161.2 14.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.426 ' N ' HG22 ' A' ' 20' ' ' THR . 0.7 OUTLIER -86.84 142.22 28.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.2 t -102.75 75.5 1.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.1 t90 60.91 80.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 -63.38 130.63 45.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.49 HG23 ' H ' ' A' ' 27' ' ' VAL . 9.9 t -176.56 179.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -98.76 30.82 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.49 ' H ' HG23 ' A' ' 25' ' ' THR . 21.5 t -112.06 -33.31 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.5 t -176.73 96.73 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.401 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 3.4 m -71.36 119.83 16.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.401 ' CD2' ' O ' ' A' ' 29' ' ' SER . 43.9 m170 -140.48 -178.44 5.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -145.98 172.23 13.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 75.2 m -94.11 162.8 13.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.2 p -87.52 -68.63 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.67 -28.45 0.84 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.501 ' HA ' HD22 ' A' ' 15' ' ' LEU . 47.8 mtt85 -134.97 36.31 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -161.85 172.38 16.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.5 m -125.98 31.56 5.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.556 ' HG2' HG21 ' A' ' 5' ' ' THR . 4.5 mm-40 -106.22 144.33 33.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.2 t -114.82 86.39 13.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.16 177.39 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.586 2.19 . . . . 0.0 112.32 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -105.69 31.62 4.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 51.2 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.89 0.376 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.535 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 60.39 109.3 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.93 172.06 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.93 -155.61 16.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.91 155.08 66.32 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.529 2.153 . . . . 0.0 112.354 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.9 t 64.69 32.38 11.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.1 p -177.16 122.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -133.48 138.06 45.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 60.31 39.5 18.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 t 61.25 33.15 19.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -136.14 107.79 7.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.24 156.59 15.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -87.9 148.03 42.42 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.77 139.44 58.93 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.598 2.198 . . . . 0.0 112.303 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.91 90.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.51 -27.85 0.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -59.67 165.81 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.876 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 t -107.91 122.19 46.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.4 m -66.31 93.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.455 ' CH2' HG21 ' A' ' 25' ' ' THR . 27.2 t90 60.61 110.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -105.39 144.28 32.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.455 HG21 ' CH2' ' A' ' 23' ' ' TRP . 23.6 p -133.03 32.34 3.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.45 35.48 20.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -178.5 -38.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.1 m -84.26 119.3 24.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.76 102.06 4.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -103.28 -32.15 9.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 60.28 104.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 t -60.3 168.94 1.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.6 p -108.5 -31.08 7.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.82 27.75 10.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.562 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -112.21 -33.74 6.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.333 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -158.55 172.77 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.535 ' SG ' HG22 ' A' ' 5' ' ' THR . 65.2 m -71.8 -31.16 66.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -59.12 134.58 57.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 96.1 m -129.13 88.43 51.26 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -51.7 154.1 10.0 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.542 2.162 . . . . 0.0 112.325 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.39 57.3 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.1 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.807 0.337 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.849 HG21 HD23 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -61.45 131.03 48.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 54.4 m -150.83 134.77 16.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.61 -170.52 41.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.41 -54.3 5.42 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.592 2.195 . . . . 0.0 112.289 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.4 t -76.48 -53.2 8.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.7 m -55.47 162.47 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.39 -166.71 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.771 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -58.57 88.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 61.25 49.21 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.59 111.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.849 HD23 HG21 ' A' ' 5' ' ' THR . 3.9 pp -66.61 169.52 7.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -90.08 146.3 34.72 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.015 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.1 146.2 49.76 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.569 2.179 . . . . 0.0 112.297 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.13 112.53 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.16 -27.54 5.31 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -59.65 166.6 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.2 p -79.58 161.21 26.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.3 t -103.67 -48.73 3.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.439 ' CZ2' ' CG2' ' A' ' 25' ' ' THR . 6.4 t90 -149.02 142.98 25.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -139.98 108.14 5.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.439 ' CG2' ' CZ2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -105.46 -34.7 7.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -178.14 -39.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 28' ' ' SER . 12.4 p -128.99 -43.97 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.456 ' N ' HG13 ' A' ' 27' ' ' VAL . 3.0 t -76.61 102.72 6.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -92.67 -32.07 14.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.5 m170 60.63 -176.72 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -155.15 124.95 6.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.36 164.07 4.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.9 t -84.24 -38.78 20.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.05 40.92 5.71 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.535 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -174.73 -40.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.79 153.07 48.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 84.2 m -72.46 -23.27 61.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -57.35 120.52 8.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.951 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.59 89.09 14.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -51.49 136.87 48.84 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.561 2.174 . . . . 0.0 112.331 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.1 t -85.32 57.19 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.9 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.819 0.342 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 t -59.99 150.46 28.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.3 p -153.42 143.21 21.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.06 178.76 16.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.85 53.85 4.93 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.695 2.263 . . . . 0.0 112.542 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.93 37.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.974 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.9 p -171.48 142.53 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -60.59 -173.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -56.57 -30.05 62.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -159.66 31.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.92 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -140.81 153.74 45.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.556 HD13 ' H ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -89.38 138.22 31.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.556 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -76.34 166.84 41.82 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.15 143.02 52.35 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.539 2.159 . . . . 0.0 112.34 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.87 108.23 5.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.28 35.11 1.13 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.511 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.0 t -120.82 173.3 7.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.15 158.42 28.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.1 t -141.29 -47.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.448 ' CZ2' HG21 ' A' ' 25' ' ' THR . 24.4 t90 -159.78 80.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -84.02 136.32 34.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.448 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 26.4 p -153.9 -170.03 3.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.0 p -98.49 29.72 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.79 -40.99 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.3 p -163.74 -170.01 2.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.401 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 22.1 m -136.09 150.71 49.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.401 ' CD2' ' O ' ' A' ' 29' ' ' SER . 39.9 m80 -153.71 167.17 30.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -142.28 161.44 38.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.6 153.77 30.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.5 t -93.97 -35.49 12.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.42 -28.09 14.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -78.35 -32.81 49.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -149.56 162.12 40.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.6 t -72.25 -27.5 62.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -57.1 139.48 52.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.012 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.9 m -120.18 87.74 40.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -52.06 141.96 45.9 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.577 2.184 . . . . 0.0 112.269 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.3 p -85.32 57.3 4.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 57.4 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.808 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.809 0.338 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.23 153.28 22.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.44 172.01 13.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.26 -174.61 22.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -33.3 17.05 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.567 2.178 . . . . 0.0 112.249 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.2 t -98.06 37.48 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.17 134.88 54.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -97.79 85.57 3.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 63.9 -79.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.57 31.33 1.88 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -140.55 159.93 41.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mp -81.36 144.73 31.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.591 ' HD3' HG21 ' A' ' 20' ' ' THR . 38.1 mttt -85.47 162.56 47.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.3 136.6 40.78 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.535 2.156 . . . . 0.0 112.318 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.54 112.08 1.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.51 27.13 3.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.582 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.591 HG21 ' HD3' ' A' ' 16' ' ' LYS . 24.7 m -90.21 163.0 14.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.751 0.31 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.427 ' N ' HG22 ' A' ' 20' ' ' THR . 0.8 OUTLIER -101.48 95.52 6.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.921 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.0 p -91.27 -31.53 16.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -140.91 152.48 45.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -171.56 124.65 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.1 p -108.05 -77.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -177.58 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -87.26 -32.57 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 m -134.13 151.16 51.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.8 m -131.13 122.5 26.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 53.2 m170 -102.43 151.91 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -131.22 158.59 40.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.4 148.28 37.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.2 p -82.91 -35.56 26.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.56 -28.38 13.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -83.15 -33.25 26.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.349 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 p -142.6 163.72 32.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 36.1 m -72.13 -28.92 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.21 150.08 31.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -118.24 88.04 31.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -51.82 169.01 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.543 2.162 . . . . 0.0 112.344 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.2 m -98.2 35.91 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.1 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.86 0.362 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.59 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 60.59 107.63 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 p -106.01 150.64 25.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.36 165.42 12.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.556 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.64 -21.4 31.43 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.671 2.247 . . . . 0.0 112.527 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 39.0 m -96.65 32.87 1.95 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.102 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.3 p -177.71 140.73 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.949 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -145.78 165.08 29.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.814 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.1 pm0 44.42 31.06 0.54 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.452 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 64.5 77.64 0.31 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.95 136.42 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.49 HD21 ' O ' ' A' ' 35' ' ' ARG . 0.6 OUTLIER -84.86 126.45 33.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.5 ' HD3' HG21 ' A' ' 20' ' ' THR . 25.7 mttp -73.61 160.34 82.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.809 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.73 141.37 49.42 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.578 2.185 . . . . 0.0 112.274 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.528 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -57.42 100.45 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.94 -26.45 0.92 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.5 HG21 ' HD3' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -58.61 153.46 16.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.814 0.34 . . . . 0.0 110.947 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.604 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.7 OUTLIER -91.56 145.75 24.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.3 p -103.8 -38.19 7.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -106.7 -47.75 3.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.46 ' O ' HG23 ' A' ' 25' ' ' THR . 0.1 OUTLIER 57.59 105.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.947 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 24' ' ' ARG . 31.4 p -158.49 165.02 35.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -86.66 55.92 3.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 p -178.69 -38.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.0 m -103.7 -78.31 0.56 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.4 t 60.02 77.6 0.31 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.604 ' O ' HG22 ' A' ' 21' ' ' THR . 8.3 m80 -84.04 174.74 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -135.22 149.67 49.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.9 m -82.47 136.77 34.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.8 p -64.4 -30.31 71.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.528 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 96.5 -26.98 19.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.49 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -92.41 -30.75 15.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.318 . . . . 0.0 110.929 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -138.01 156.16 48.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.59 ' SG ' HG22 ' A' ' 5' ' ' THR . 67.5 m -72.55 -24.68 61.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.053 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.68 127.2 28.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.12 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.8 t -103.72 94.15 5.91 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.79 151.76 78.26 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.473 2.116 . . . . 0.0 112.333 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -60.64 -30.08 69.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.7 p -60.18 111.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.6 p -128.36 132.38 48.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.82 -156.63 22.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.93 -34.16 14.55 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.579 2.186 . . . . 0.0 112.283 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.68 -51.69 5.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.4 m -59.42 144.17 47.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.78 84.64 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 61.47 68.98 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.7 t 60.04 68.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -170.85 106.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -72.06 128.28 35.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -79.36 154.21 76.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.31 141.65 49.29 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.596 2.197 . . . . 0.0 112.303 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.69 110.74 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.25 34.77 1.17 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.4 m -98.25 149.84 22.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.797 HG21 ' CZ ' ' A' ' 24' ' ' ARG . 45.2 p -70.96 118.21 13.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.44 -33.19 21.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.586 ' CZ2' HG21 ' A' ' 25' ' ' THR . 4.8 t90 -137.48 100.19 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.797 ' CZ ' HG21 ' A' ' 21' ' ' THR . 0.7 OUTLIER -89.23 74.11 7.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.586 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 0.6 OUTLIER -111.62 -14.8 13.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.21 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.04 31.2 0.85 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.925 0.393 . . . . 0.0 110.656 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m -113.22 -31.06 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.171 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.1 p -164.37 -169.87 1.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.9 m -132.47 126.8 33.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -116.16 -39.36 3.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 61.58 153.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.67 139.66 37.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.656 HG23 ' HD3' ' A' ' 40' ' ' PRO . 57.1 p -60.77 -47.47 86.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.11 -37.71 3.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -33.08 64.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -136.05 166.67 22.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.07 -30.77 65.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -62.96 133.43 54.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.47 145.84 30.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.656 ' HD3' HG23 ' A' ' 33' ' ' THR . 52.4 Cg_exo -52.73 177.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.552 2.168 . . . . 0.0 112.298 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 t -146.06 31.59 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.5 t80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.9 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.847 0.356 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.6 p -69.3 109.91 4.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.6 p -131.86 134.29 45.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.19 -177.31 34.11 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.15 -39.13 71.77 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.568 2.179 . . . . 0.0 112.311 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.9 t -98.89 31.81 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 72.1 m -151.19 127.78 10.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.01 151.44 42.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 60.6 35.83 19.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 60.75 36.12 19.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -150.51 163.91 37.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.522 HD23 ' N ' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -85.55 148.0 26.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.522 ' N ' HD23 ' A' ' 15' ' ' LEU . 31.1 mttt -78.78 154.07 78.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.86 143.39 50.2 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.556 2.171 . . . . 0.0 112.254 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.73 92.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.7 -28.52 0.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.489 HG21 ' HE2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -60.55 161.24 7.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.347 . . . . 0.0 110.909 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.9 OUTLIER -106.25 124.71 50.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.36 -32.83 64.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -158.33 116.65 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -158.02 118.48 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 25' ' ' THR . 10.0 t -176.65 74.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.6 m 59.54 30.56 20.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 28' ' ' SER . 11.4 p -134.91 -44.84 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.485 ' N ' HG13 ' A' ' 27' ' ' VAL . 4.8 t -167.58 -171.79 1.74 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -143.88 84.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.532 ' O ' HG22 ' A' ' 21' ' ' THR . 59.5 m170 -81.66 -178.01 6.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -159.72 151.58 20.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.1 m -98.81 153.74 18.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.1 p -103.4 -31.43 10.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.415 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . 90.73 28.38 16.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.446 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.6 -32.99 6.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.56 172.29 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 72.7 m -72.26 -31.64 65.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -66.79 111.1 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.51 149.2 64.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.15 151.17 66.7 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.576 2.184 . . . . 0.0 112.296 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 p -105.36 33.75 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.784 0.326 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.5 82.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 m -108.85 153.07 24.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.57 -151.32 22.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.538 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.59 -37.76 6.8 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.56 2.173 . . . . 0.0 112.367 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.7 t -100.58 31.01 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.8 m -145.84 176.67 9.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.4 mtt-85 -157.33 131.21 8.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 62.63 -80.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -154.31 31.51 0.43 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -148.44 152.08 36.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.441 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -90.25 154.5 19.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -78.66 160.27 72.49 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.21 143.89 40.75 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.582 2.188 . . . . 0.0 112.309 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.434 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.29 117.49 4.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.14 28.3 3.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 21' ' ' THR . 8.0 m -91.27 164.7 13.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.822 0.344 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.402 ' N ' HG22 ' A' ' 20' ' ' THR . 0.8 OUTLIER -77.22 151.57 35.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 m -126.61 78.83 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.9 t90 60.68 106.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.21 139.97 53.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.575 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.7 OUTLIER -142.4 30.89 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.64 27.76 16.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.002 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 25' ' ' THR . 21.4 t -120.79 -39.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.15 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t -141.08 -171.45 3.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.12 154.25 49.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.415 ' CE1' ' HB3' ' A' ' 39' ' ' CYS . 4.5 t-160 -170.48 144.36 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -136.35 144.67 44.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 88.7 m -63.46 169.35 3.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.415 HG23 ' N ' ' A' ' 34' ' ' GLY . 10.0 t -93.16 -44.64 8.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.434 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 109.09 38.57 1.81 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.498 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -159.75 -44.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 p -128.99 164.96 22.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.06 -29.87 64.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -64.51 103.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.415 ' HB3' ' CE1' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -60.29 147.18 82.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.47 168.96 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.55 2.166 . . . . 0.0 112.293 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.5 m -102.53 -31.56 10.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 35.6 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.783 0.325 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.2 p -95.69 143.39 26.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 12' ' ' GLN . 20.1 p -130.39 129.92 43.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.788 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.99 -153.83 8.11 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.619 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -74.79 -38.89 1.51 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.65 2.233 . . . . 0.0 112.639 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.8 t -81.81 -74.1 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.035 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.3 p -53.63 148.98 8.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.125 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -168.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.577 ' O ' HG22 ' A' ' 6' ' ' THR . 1.9 tt0 -59.08 -31.28 68.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -160.22 35.62 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.31 114.02 7.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 15' ' ' LEU . 7.4 tp -60.57 137.27 58.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HD2' HG21 ' A' ' 20' ' ' THR . 17.2 mmtt -79.69 161.92 64.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.61 133.69 32.85 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.557 2.171 . . . . 0.0 112.306 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.621 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.83 110.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.065 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.57 36.12 2.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.412 HG21 ' HD2' ' A' ' 16' ' ' LYS . 12.4 t -125.23 164.38 20.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.815 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.9 142.23 54.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.13 -38.95 7.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.493 ' CH2' HG21 ' A' ' 25' ' ' THR . 37.0 t90 -176.14 66.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.6 ptt-85 -60.02 125.5 23.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.493 HG21 ' CH2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -110.63 -33.5 6.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 m -178.72 -38.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 28' ' ' SER . 12.4 p -150.98 -44.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.192 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.488 ' N ' HG13 ' A' ' 27' ' ' VAL . 41.5 t -59.5 126.02 25.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.1 m -130.21 140.08 50.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 45.5 m170 -110.06 -31.25 7.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 63.68 136.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.06 142.38 39.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.1 p -78.8 -41.9 29.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.621 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 105.33 -26.95 20.19 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.528 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.31 -30.31 15.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.9 t -148.19 161.2 41.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.02 -27.27 62.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.054 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.76 98.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.974 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 89.9 m -76.86 149.15 80.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.32 177.4 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.556 2.171 . . . . 0.0 112.296 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -134.15 34.28 3.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.0 t80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.857 0.36 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 p -60.31 159.7 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.74 141.17 26.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.37 -162.84 33.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.82 -36.44 10.64 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.614 2.21 . . . . 0.0 112.312 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.1 t -97.97 37.01 1.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.82 127.61 55.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -99.42 94.96 6.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.89 -79.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.51 37.48 0.83 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.72 136.29 24.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.587 HD11 ' CA ' ' A' ' 36' ' ' SER . 2.1 tt -68.75 121.82 17.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -60.16 148.49 78.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.5 136.3 56.49 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.546 2.164 . . . . 0.0 112.313 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.408 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.93 103.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.65 -26.16 2.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.568 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -58.68 147.9 31.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.2 p -60.39 154.73 19.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.43 -51.17 2.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -163.25 78.0 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -110.46 121.24 44.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.86 -36.24 9.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -178.51 -39.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -118.33 -37.61 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.197 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.4 p -60.01 163.56 4.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 m -164.22 124.32 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -126.07 -46.3 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 60.74 157.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.96 172.24 13.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -112.03 -37.38 5.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.408 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 96.49 -30.36 8.89 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.561 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 mtm-85 -72.15 -31.96 66.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.587 ' CA ' HD11 ' A' ' 15' ' ' LEU . 29.7 t -159.24 169.75 23.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.5 m -72.1 -30.73 65.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.17 134.82 54.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.6 147.88 38.85 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.46 172.2 0.17 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.581 2.187 . . . . 0.0 112.293 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -101.73 -31.11 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.9 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.788 0.328 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 t -88.31 141.96 28.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.69 157.41 43.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.64 -168.57 24.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.93 -38.67 1.15 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.647 2.232 . . . . 0.0 112.59 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.94 55.51 3.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.094 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.9 p 179.97 142.32 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -114.35 144.75 42.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 62.57 -80.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.47 37.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -145.77 143.02 29.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.0 pp -60.14 158.01 12.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.476 ' O ' HD12 ' A' ' 15' ' ' LEU . 29.1 mttt -87.09 162.42 43.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.76 144.64 54.69 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.611 2.207 . . . . 0.0 112.307 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.86 108.35 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.61 -27.34 2.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -59.6 157.03 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.48 HG22 ' CD1' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -103.26 134.45 46.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 87.0 m -60.3 -73.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.497 ' CZ2' HG21 ' A' ' 25' ' ' THR . 13.7 t90 -122.22 118.07 27.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -102.4 113.06 26.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.497 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 1.0 OUTLIER -133.32 32.08 3.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.0 m 60.73 32.11 20.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.61 -38.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.2 m -88.11 149.73 23.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 20.9 p -176.56 110.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -99.94 -32.03 11.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.48 ' CD1' HG22 ' A' ' 21' ' ' THR . 24.6 m-85 61.32 154.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -118.27 148.91 41.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 t -77.71 -30.93 52.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.26 27.17 7.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.554 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.69 -33.44 6.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.34 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 96.6 p -155.06 172.22 18.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.3 t -75.45 -29.62 59.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -58.56 109.53 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.6 m -60.61 149.77 77.47 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.31 177.44 5.96 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.589 2.193 . . . . 0.0 112.289 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.4 m -125.85 35.55 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.24 132.74 54.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.44 163.72 12.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.09 162.57 9.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.23 -35.29 62.85 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.577 2.184 . . . . 0.0 112.311 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.3 t -70.49 -39.52 74.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m -76.81 129.63 36.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.71 115.32 30.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 63.93 -79.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.9 t -156.19 68.92 0.62 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -170.53 150.64 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.594 HD11 ' C ' ' A' ' 35' ' ' ARG . 2.2 tt -89.98 118.73 29.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.423 ' O ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.78 149.16 85.91 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.35 143.58 43.19 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.569 2.179 . . . . 0.0 112.282 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.79 121.89 12.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.07 28.28 4.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.417 HG21 ' HD3' ' A' ' 16' ' ' LYS . 11.8 m -104.94 143.85 32.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.08 131.96 45.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.77 -52.36 65.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -157.03 79.63 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.553 ' O ' HG23 ' A' ' 25' ' ' THR . 4.1 ttt85 -65.0 125.13 23.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 24' ' ' ARG . 11.3 p -160.61 -78.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.2 p -177.99 -39.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -79.77 -32.69 14.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 t -113.55 175.54 5.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.75 36.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -69.2 -178.03 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -145.99 147.98 32.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.94 171.51 14.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 p -106.98 -67.35 0.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.525 ' O ' HD22 ' A' ' 15' ' ' LEU . . . 143.08 -36.56 1.58 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.524 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.594 ' C ' HD11 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -93.96 -31.31 14.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.902 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.7 m -128.29 172.59 10.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 m -122.45 29.38 6.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -98.33 103.46 15.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.37 110.0 2.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.44 172.8 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.464 2.109 . . . . 0.0 112.291 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.3 t -111.59 31.68 5.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.576 ' O ' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.837 0.351 . . . . 0.0 110.877 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.9 p -60.79 108.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 4' ' ' CYS . 2.4 t -153.55 138.6 17.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.49 -150.42 22.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.556 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.18 -59.92 0.93 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.596 2.198 . . . . 0.0 112.318 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 t -98.42 35.69 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 99.1 m -150.72 123.08 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -105.16 111.85 24.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 63.72 -80.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.2 m -147.72 36.38 0.87 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -137.64 136.42 37.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 16' ' ' LYS . 1.8 tt -97.63 123.84 41.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.504 ' O ' HD23 ' A' ' 15' ' ' LEU . 8.3 mttm -61.29 149.64 82.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.33 143.26 44.21 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.56 2.173 . . . . 0.0 112.288 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.765 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -60.7 108.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.45 -29.39 2.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.7 m -60.4 140.48 57.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.407 HG22 ' CD2' ' A' ' 31' ' ' TYR . 18.7 p -75.27 104.24 5.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.1 p -74.29 -31.56 62.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.4 t90 -134.33 121.37 21.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.707 ' O ' HG23 ' A' ' 25' ' ' THR . 6.4 ptt-85 -148.97 170.06 19.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 24' ' ' ARG . 0.7 OUTLIER -169.99 -42.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -172.25 -77.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.4 -31.23 4.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.6 p -90.89 118.86 30.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.38 113.85 9.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -106.38 121.51 44.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.407 ' CD2' HG22 ' A' ' 21' ' ' THR . 38.8 m-85 -86.91 172.11 10.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.21 172.31 10.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -103.24 -41.17 6.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.765 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 101.75 32.76 4.96 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.503 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -156.81 -45.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.0 m -129.71 167.82 17.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.1 m -72.28 -31.25 65.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -65.26 115.43 5.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.1 m -82.85 149.7 60.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.84 172.76 12.13 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.591 2.194 . . . . 0.0 112.351 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.9 t -107.05 33.11 4.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.719 ' O ' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.84 0.352 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.2 p -60.39 91.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.719 HG22 ' O ' ' A' ' 4' ' ' CYS . 1.4 t -142.01 131.16 23.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.17 -150.07 9.2 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.87 -54.01 6.03 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.621 2.214 . . . . 0.0 112.323 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.5 m -81.05 -56.47 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.1 m -59.87 144.03 49.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -125.03 -74.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -91.32 55.97 2.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m 59.45 31.14 20.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -128.24 158.4 38.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.648 HD13 ' O ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -107.67 114.79 29.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -59.95 162.98 8.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -68.52 145.25 63.89 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.574 2.183 . . . . 0.0 112.278 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.04 101.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.21 -28.31 0.99 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.3 172.31 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.18 134.13 47.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.7 p -86.76 -39.38 16.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -141.42 112.1 7.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -108.32 113.59 26.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.21 -177.28 5.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.1 t -98.73 30.32 3.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.97 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 m -127.06 -43.23 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -155.79 -176.21 5.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -149.79 150.98 32.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 31' ' ' TYR . 6.3 m-70 -142.26 174.2 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 30' ' ' HIS . 23.9 m-85 -151.03 127.51 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 m -65.27 172.28 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.7 p -105.5 -31.26 9.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.648 ' O ' HD13 ' A' ' 15' ' ' LEU . . . 111.08 -27.99 10.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -31.53 53.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m -136.74 168.64 19.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 80.9 m -72.25 -31.64 65.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -65.53 164.45 14.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.0 p -130.1 54.31 14.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.29 106.35 1.74 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.563 2.175 . . . . 0.0 112.293 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.91 31.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.4 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 5.1 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.3 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.835 0.35 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.2 p -82.7 110.22 17.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.4 p -130.93 149.01 52.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.64 -150.96 23.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.17 -35.76 10.88 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.607 2.205 . . . . 0.0 112.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 t -98.8 31.06 3.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.46 ' SG ' HD22 ' A' ' 15' ' ' LEU . 39.5 m -141.95 149.05 39.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.2 mtm-85 -92.22 -83.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -111.75 -27.75 8.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.792 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.7 t 179.94 38.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 pttm -144.31 172.66 12.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.99 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.51 HD21 ' C ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -105.92 126.38 52.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -60.41 148.71 79.46 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.51 143.1 46.58 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.601 2.2 . . . . 0.0 112.261 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.78 139.08 57.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.85 -26.99 21.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.6 m -59.19 130.79 48.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 p -60.2 159.47 9.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.24 -66.91 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.748 ' CZ2' HG21 ' A' ' 25' ' ' THR . 9.6 t90 -132.63 145.49 51.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.558 ' O ' HG23 ' A' ' 25' ' ' THR . 0.7 OUTLIER -128.5 126.51 40.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.961 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.748 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -163.69 31.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m 59.66 64.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -178.7 -38.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.1 t -162.0 132.56 4.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.84 -33.16 7.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.5 m80 59.96 -176.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -156.92 120.04 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.39 136.78 58.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.471 HG23 ' H ' ' A' ' 35' ' ' ARG . 8.8 t -66.89 -30.85 71.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.82 27.76 25.66 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.556 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.471 ' H ' HG23 ' A' ' 33' ' ' THR . 4.4 ttt180 -135.48 -45.91 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.957 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.51 ' C ' HD21 ' A' ' 15' ' ' LEU . 2.0 m -128.66 158.49 38.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.478 ' N ' HD21 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -72.39 -26.04 61.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.022 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -57.32 135.23 56.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.023 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.9 90.43 15.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.59 170.93 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.541 2.161 . . . . 0.0 112.39 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.3 m -114.75 70.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.82 0.343 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.783 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 62.17 117.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.4 m -148.02 154.43 40.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.46 -175.09 43.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.538 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.25 -45.3 40.27 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.615 2.21 . . . . 0.0 112.316 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 t -97.36 39.44 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.0 m -144.56 118.26 9.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -77.71 102.79 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 63.94 -79.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -141.83 31.64 1.62 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.09 156.53 42.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.485 HD11 ' N ' ' A' ' 36' ' ' SER . 0.9 OUTLIER -100.43 126.15 46.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -60.96 156.29 48.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.6 143.88 53.08 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.523 2.149 . . . . 0.0 112.314 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.51 110.81 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.066 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.09 -28.52 2.92 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.62 172.27 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 p -86.93 174.57 8.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.7 t -129.91 -46.07 1.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -131.86 92.83 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.7 111.75 22.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.8 p -153.31 -169.8 3.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -108.77 67.1 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.42 -38.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.03 151.48 31.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -133.57 116.27 15.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -97.18 175.12 6.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -134.56 160.37 38.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.45 142.91 32.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.548 HG23 ' H ' ' A' ' 35' ' ' ARG . 9.6 t -95.9 -34.75 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.64 28.09 22.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.525 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.548 ' H ' HG23 ' A' ' 33' ' ' THR . 31.1 ttm-85 -109.8 -33.43 6.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.485 ' N ' HD11 ' A' ' 15' ' ' LEU . 2.0 t -162.65 168.17 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.783 ' SG ' HG22 ' A' ' 5' ' ' THR . 70.7 m -71.98 -29.63 64.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -62.41 103.81 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.25 147.78 57.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.46 174.35 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.589 2.193 . . . . 0.0 112.309 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.2 t -131.49 31.67 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.4 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.821 0.343 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.49 172.56 6.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.46 138.32 52.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.97 169.86 22.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.545 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.12 -20.93 48.56 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.683 2.255 . . . . 0.0 112.612 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.87 41.26 1.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.21 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.8 p -179.44 124.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -105.84 107.82 19.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.8 59.65 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 65.4 m 59.78 34.02 21.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.84 84.68 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.528 ' O ' HD12 ' A' ' 15' ' ' LEU . 3.2 pp -63.61 131.18 47.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.8 163.8 6.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.05 145.76 68.51 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.569 2.179 . . . . 0.0 112.282 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.19 132.72 53.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.165 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.04 -28.26 9.99 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.527 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.0 m -62.91 122.96 17.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 t -60.6 117.59 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 80.0 m -60.26 -31.49 70.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -168.58 99.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.608 ' O ' HG23 ' A' ' 25' ' ' THR . 13.6 ttp180 -91.62 167.64 12.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 24' ' ' ARG . 1.6 p -162.78 -77.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.41 -39.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.947 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 p -106.13 -31.23 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.4 p -108.13 154.39 21.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 t -159.43 132.35 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -143.22 130.73 21.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -110.73 148.63 31.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.52 172.22 8.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 t -100.08 -31.26 11.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.99 27.72 13.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -135.78 -46.22 0.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.968 0.413 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -136.17 166.32 23.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.826 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.1 m -72.35 -28.13 62.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -56.88 96.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.968 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.6 t -106.15 88.14 2.94 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.96 177.01 5.43 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.537 2.158 . . . . 0.0 112.343 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 p -97.05 61.99 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.919 0.39 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.406 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 61.25 113.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.933 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.1 p -129.71 151.98 49.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.33 179.92 35.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.84 -26.14 19.33 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.639 2.226 . . . . 0.0 112.423 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -94.09 45.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 p -177.47 164.94 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -101.23 -169.43 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.65 89.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.026 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 63.08 58.15 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -176.5 118.74 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -81.51 137.57 35.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.598 ' HD3' HG21 ' A' ' 20' ' ' THR . 13.8 mttm -73.6 162.16 75.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.25 144.74 37.86 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.604 2.203 . . . . 0.0 112.369 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.49 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -60.47 126.03 25.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.9 33.62 5.73 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.522 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.598 HG21 ' HD3' ' A' ' 16' ' ' LYS . 70.0 m -99.18 115.67 29.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.22 114.21 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.8 p -118.08 -40.65 2.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -116.16 127.54 54.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -177.01 111.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 p -97.43 -36.55 10.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -178.32 -39.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -116.05 -36.32 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.131 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 t -64.03 89.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -97.33 78.21 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.401 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 1.5 m-70 -95.18 179.22 5.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 30' ' ' HIS . 46.9 m-85 -147.82 150.9 35.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.07 146.13 44.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 38' ' ' GLU . 53.5 p -60.28 -39.68 87.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.533 ' O ' HD12 ' A' ' 15' ' ' LEU . . . 96.57 -28.39 13.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.491 ' C ' HD13 ' A' ' 15' ' ' LEU . 10.8 ttp85 -114.69 -34.82 5.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.767 0.318 . . . . 0.0 110.984 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 m -111.0 172.69 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.001 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.406 ' SG ' HG22 ' A' ' 5' ' ' THR . 4.2 m -83.53 -24.59 31.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.666 ' O ' HG23 ' A' ' 33' ' ' THR . 3.7 mt-10 -56.46 131.48 48.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.051 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.412 ' CB ' ' CD ' ' A' ' 40' ' ' PRO . 1.3 m -72.82 -60.89 1.76 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 39' ' ' CYS . 57.3 Cg_endo -71.13 139.88 36.46 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.508 2.139 . . . . 0.0 112.361 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.562 ' OG ' HG22 ' A' ' 33' ' ' THR . 88.1 p -177.37 80.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.865 0.364 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.34 89.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.2 p -107.59 126.48 52.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.51 -176.08 38.04 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.78 -29.5 15.52 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.579 2.186 . . . . 0.0 112.372 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.5 t -98.37 31.04 2.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.8 p -173.38 109.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.37 135.26 52.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 60.26 41.28 16.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.8 t 61.19 35.66 18.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -135.06 100.66 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.32 138.06 56.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.63 142.97 97.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.43 145.84 44.4 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.482 2.121 . . . . 0.0 112.283 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.82 112.6 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.68 -28.17 1.31 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.27 173.58 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.814 0.34 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.6 OUTLIER -104.92 108.36 19.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -179.92 41.68 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.259 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.422 ' CD2' HG23 ' A' ' 33' ' ' THR . 81.9 t90 -177.23 122.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.166 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -126.32 149.49 49.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.754 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.89 -78.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.75 -42.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.0 m -71.79 -30.79 39.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.043 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.62 155.33 39.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.787 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -60.01 -79.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.65 ' O ' HG22 ' A' ' 21' ' ' THR . 70.8 t60 -158.43 72.95 0.63 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.627 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -122.54 129.95 52.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.06 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.11 129.41 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.422 HG23 ' CD2' ' A' ' 23' ' ' TRP . 15.8 p -63.15 -29.47 70.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.42 26.42 54.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.526 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -123.33 -41.29 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.372 . . . . 0.0 111.051 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 p -120.96 151.95 39.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.9 m -73.34 -21.47 60.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.72 133.68 47.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.844 0.354 . . . . 0.0 111.03 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.3 t -131.64 92.02 32.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -48.75 131.49 24.6 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.548 2.165 . . . . 0.0 112.36 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -31.85 68.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.066 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.801 0.334 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.595 HG21 ' OG ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -101.06 158.36 16.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.17 136.41 22.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.56 -162.0 34.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.07 -30.36 20.97 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.616 2.21 . . . . 0.0 112.293 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.12 36.28 1.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.34 162.95 14.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -170.41 106.41 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? 60.39 46.68 9.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 61.34 31.45 19.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.03 168.47 19.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.512 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -93.83 140.67 29.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -67.49 165.87 26.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.21 144.56 75.4 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.599 2.199 . . . . 0.0 112.275 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.75 113.5 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.061 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.4 24.86 4.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.615 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 21' ' ' THR . 11.0 m -94.5 164.43 12.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.414 ' N ' HG22 ' A' ' 20' ' ' THR . 0.6 OUTLIER -96.59 106.08 18.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.35 -68.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.443 ' CE3' ' CG2' ' A' ' 25' ' ' THR . 0.3 OUTLIER -110.89 179.14 4.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -148.76 108.83 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.443 ' CG2' ' CE3' ' A' ' 23' ' ' TRP . 28.4 p -131.66 -171.3 2.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.4 p -99.16 30.78 3.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.616 HG22 ' O ' ' A' ' 27' ' ' VAL . 14.8 p -177.78 38.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -177.31 146.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.1 p -111.0 -33.81 6.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 59.64 95.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -106.35 109.21 21.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.34 161.19 7.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 p -95.96 -41.73 8.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.0 28.11 7.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -110.62 -33.09 6.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.595 ' OG ' HG21 ' A' ' 5' ' ' THR . 3.0 t -148.19 172.04 14.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.1 m -72.65 -31.36 65.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -74.8 145.26 43.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.5 m -100.47 152.93 37.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.32 177.52 5.88 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.539 2.159 . . . . 0.0 112.282 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.4 p -121.55 34.92 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.3 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.817 0.342 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.585 HG21 ' H ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -60.75 154.03 22.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -136.23 135.77 39.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.69 178.04 33.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.479 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -78.92 56.11 5.86 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.687 2.258 . . . . 0.0 112.537 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -171.93 33.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.068 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -176.95 -175.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -108.41 -167.85 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -59.06 -30.84 68.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.3 m -160.26 40.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -158.22 120.2 3.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.561 HD11 ' CA ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -78.7 137.2 37.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -67.01 148.17 98.94 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.91 142.55 52.25 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.516 2.144 . . . . 0.0 112.294 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.33 101.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.84 -27.31 0.93 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.543 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.6 159.28 8.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.814 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -110.39 134.15 52.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.5 p -99.09 -40.91 7.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -133.13 114.85 14.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.52 99.33 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.7 p -74.84 -34.12 62.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.01 -39.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 28' ' ' SER . 11.2 p -123.38 -41.37 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.175 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.429 ' N ' HG13 ' A' ' 27' ' ' VAL . 13.6 m -60.8 157.09 15.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.941 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.409 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 10.0 p -176.6 103.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -70.61 -38.87 74.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.814 ' CE2' HG23 ' A' ' 21' ' ' THR . 32.1 m-85 60.76 157.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -117.62 126.84 53.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 p -64.51 -29.73 70.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.12 25.99 6.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -114.19 -35.87 4.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.561 ' CA ' HD11 ' A' ' 15' ' ' LEU . 24.4 t -147.55 162.92 38.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.585 ' H ' HG21 ' A' ' 5' ' ' THR . 1.8 t -71.91 -28.47 63.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.961 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.52 128.15 34.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.37 149.21 36.94 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.37 129.73 17.43 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.554 2.17 . . . . 0.0 112.328 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -67.81 -31.61 71.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.704 ' O ' HG23 ' A' ' 5' ' ' THR . 6.3 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.847 0.356 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.704 HG23 ' O ' ' A' ' 4' ' ' CYS . 0.6 OUTLIER -173.13 100.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.3 p -128.11 121.39 29.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.61 -173.56 37.17 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.546 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.95 -27.28 17.68 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.6 2.2 . . . . 0.0 112.416 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.2 t -98.33 32.59 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.3 p -177.0 138.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -149.32 140.51 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 60.84 42.21 13.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.4 t 61.28 37.49 17.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -148.49 124.48 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.587 HD23 ' H ' ' A' ' 15' ' ' LEU . 1.1 pt? -67.75 148.2 51.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -69.43 159.57 82.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.59 144.33 54.57 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.583 2.189 . . . . 0.0 112.286 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.04 98.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 150.2 -28.25 1.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.433 HG22 ' H ' ' A' ' 21' ' ' THR . 0.4 OUTLIER -63.12 172.31 1.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.919 -179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.85 HG22 ' O ' ' A' ' 30' ' ' HIS . 2.0 p -101.14 148.18 25.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.7 t -90.34 -70.59 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.647 ' CZ2' HG21 ' A' ' 25' ' ' THR . 1.8 t90 -93.22 91.81 7.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.7 tpp85 -81.9 77.48 8.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.647 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 0.6 OUTLIER -105.3 -16.52 14.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.18 179.957 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 t 75.06 31.87 0.81 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.895 0.379 . . . . 0.0 110.623 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 m -113.32 -32.85 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.49 -169.97 3.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.1 m -119.07 102.29 8.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.85 ' O ' HG22 ' A' ' 21' ' ' THR . 23.0 m170 -119.96 164.12 16.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -157.13 159.62 37.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -97.14 152.28 18.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.0 p -76.75 -47.93 20.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.68 25.17 4.68 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.584 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.7 mtm-85 -113.31 -34.85 5.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 t -155.12 172.36 18.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.5 t -72.07 -31.17 65.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.44 84.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.8 p -59.98 149.57 73.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.21 174.97 9.11 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.572 2.181 . . . . 0.0 112.313 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -117.39 31.83 6.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.978 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.818 0.342 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.3 p -60.45 117.36 5.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 t -132.03 149.55 52.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.7 -149.18 14.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.534 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.2 -46.67 0.97 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.626 2.217 . . . . 0.0 112.42 -179.859 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.668 ' SG ' HD21 ' A' ' 15' ' ' LEU . 26.2 t -87.03 5.84 35.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.465 -179.889 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.9 m -125.7 165.46 18.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.816 0.341 . . . . 0.0 110.795 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 -87.64 -79.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.774 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -152.82 21.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 179.834 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.0 t 178.51 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -120.14 151.38 39.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.967 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 16' ' ' LYS . 4.5 tt -85.27 155.98 21.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.905 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.687 ' O ' HD23 ' A' ' 15' ' ' LEU . 17.8 mttt -72.75 162.8 72.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.01 143.26 41.17 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.488 2.125 . . . . 0.0 112.323 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.41 128.33 33.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.217 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.89 -25.18 7.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.847 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -58.36 154.84 12.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.349 . . . . 0.0 110.948 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -89.7 123.06 33.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.46 -43.65 96.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 26.2 t90 -158.71 79.86 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -60.69 136.06 57.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.4 p -156.2 -174.15 4.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.2 m -107.98 66.82 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 p -177.98 -38.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 t -165.53 167.04 17.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.26 150.18 48.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -106.53 -32.17 8.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.978 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 60.47 172.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 91.5 m -125.32 161.12 27.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -116.39 -39.11 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.69 32.11 5.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.5 mtt85 -123.71 -43.25 2.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.15 157.02 42.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.821 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.435 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -71.26 -25.88 62.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.24 86.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.807 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.8 m -58.8 147.8 70.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.26 177.26 6.81 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.57 2.18 . . . . 0.0 112.354 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p -134.68 31.63 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.991 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.819 0.343 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.23 85.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.1 p -121.76 134.11 54.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.76 -168.84 40.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.616 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -57.38 -26.35 70.44 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.723 2.282 . . . . 0.0 112.531 -179.823 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.47 -49.81 5.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.917 0.389 . . . . 0.0 110.925 -179.885 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.9 m -66.94 154.39 41.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.804 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.5 -80.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 33.1 tt0 -112.6 -28.26 7.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.671 179.78 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 34.9 t 179.4 37.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -137.17 132.28 33.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.722 HD21 ' O ' ' A' ' 36' ' ' SER . 0.5 OUTLIER -82.3 117.87 22.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -58.33 155.22 28.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.41 145.06 63.88 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.572 2.181 . . . . 0.0 112.332 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.15 140.34 53.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.157 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.87 -28.32 16.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.0 m -63.63 150.86 43.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.704 HG21 ' NE ' ' A' ' 24' ' ' ARG . 10.8 p -80.4 111.13 16.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.4 t -60.29 -31.67 70.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -167.89 83.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.704 ' NE ' HG21 ' A' ' 21' ' ' THR . 21.9 ttm180 -107.63 112.56 25.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.7 p -98.23 -36.25 10.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -178.49 -39.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.53 -41.11 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.184 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.3 t -75.29 76.41 2.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.27 97.64 11.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -84.68 -178.34 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -143.27 126.37 16.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.55 150.23 48.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 p -76.24 -62.3 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.43 -27.66 7.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.35 -31.49 10.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.344 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.722 ' O ' HD21 ' A' ' 15' ' ' LEU . 5.2 p -126.91 172.46 10.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.8 t -106.51 18.91 21.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -87.52 130.87 34.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -129.47 87.85 51.96 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.16 177.66 4.95 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.585 2.19 . . . . 0.0 112.304 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.61 45.35 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.996 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.8 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.84 0.352 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.901 HG22 ' HB2' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 60.91 75.83 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.962 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.06 148.99 22.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.02 159.02 16.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.527 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.96 -26.42 40.26 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.668 2.246 . . . . 0.0 112.381 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.4 t -72.37 -59.59 2.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.3 m -59.18 152.91 19.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -98.11 -70.48 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -122.8 71.58 1.04 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.8 t 59.82 31.3 20.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -133.07 129.7 38.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.41 HD21 ' N ' ' A' ' 37' ' ' CYS . 10.7 mt -69.86 130.07 41.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -72.79 149.44 90.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.51 137.65 57.57 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.583 2.189 . . . . 0.0 112.331 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.05 90.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.084 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.95 -28.24 1.27 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 21' ' ' THR . 18.3 m -60.23 163.43 4.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.419 HG22 ' CD2' ' A' ' 31' ' ' TYR . 5.6 p -101.43 137.48 39.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.7 p -109.51 -40.43 4.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -97.33 128.31 44.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.698 ' O ' HG23 ' A' ' 25' ' ' THR . 10.2 ttt85 -135.13 116.46 14.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -168.19 -179.14 3.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.933 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.5 t -98.83 31.36 2.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -111.19 -32.94 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 t -176.72 -170.13 0.31 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 t -137.36 127.07 25.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -130.69 173.69 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.419 ' CD2' HG22 ' A' ' 21' ' ' THR . 80.7 m-85 -146.67 138.73 24.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.11 130.67 43.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.2 p -60.33 -37.3 80.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.57 -28.56 12.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -72.44 -31.64 65.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.838 0.351 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -136.98 166.13 24.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.901 ' HB2' HG22 ' A' ' 5' ' ' THR . 6.2 t -72.03 -30.53 65.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.7 162.6 6.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -128.32 88.31 52.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -69.07 163.92 35.87 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.558 2.172 . . . . 0.0 112.314 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.9 p -94.63 45.81 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.98 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.0 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.8 0.333 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.4 p -90.45 130.87 36.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.0 p -132.28 158.93 40.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.27 -178.61 40.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.05 -29.45 22.44 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.606 2.204 . . . . 0.0 112.32 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.2 t -74.57 -59.68 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.0 p -77.07 167.15 22.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.89 124.75 28.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 63.84 -79.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -160.33 76.34 0.6 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -170.2 100.04 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.57 120.3 10.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -66.86 151.42 96.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.24 142.57 45.74 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.58 2.187 . . . . 0.0 112.319 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.11 118.24 6.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.22 28.42 5.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.567 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.9 m -108.55 142.64 38.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 p -69.98 121.7 17.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.2 p -103.91 -43.38 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -106.47 122.14 45.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -156.26 90.36 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.4 t -86.27 -36.49 19.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.3 p -177.08 -40.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 p -119.52 -38.79 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.2 m -62.68 157.46 20.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.2 m -170.7 78.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -92.3 138.55 31.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -78.97 172.24 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -95.31 143.28 26.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.816 HG23 ' HD3' ' A' ' 40' ' ' PRO . 1.7 p -60.3 -41.09 92.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.03 -29.17 11.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -94.77 -32.94 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.7 t -133.82 168.76 18.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.9 m -72.21 -31.64 66.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -64.46 146.15 54.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 m -106.24 149.65 38.45 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.816 ' HD3' HG23 ' A' ' 33' ' ' THR . 56.2 Cg_endo -70.27 146.49 57.21 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.586 2.191 . . . . 0.0 112.338 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.2 t -88.05 -31.41 19.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.6 p90 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.96 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.843 0.354 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.856 HG22 ' HB2' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 64.96 109.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.977 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.1 p -131.77 128.57 39.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.793 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.48 -159.95 22.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.618 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -55.99 -62.63 0.23 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.703 2.269 . . . . 0.0 112.472 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.56 -80.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.8 p -50.68 127.02 17.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.49 -75.22 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.876 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -91.29 50.29 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.3 m 59.38 31.18 20.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -127.41 106.24 9.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 tp -59.93 118.61 6.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 149.39 97.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.26 144.4 39.24 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.53 2.154 . . . . 0.0 112.357 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 33' ' ' THR . . . -57.81 98.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.94 -27.79 0.4 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.9 156.41 14.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.57 154.33 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.46 -66.41 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -128.15 78.63 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -105.2 80.35 1.59 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 t -74.93 -35.54 62.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 p -178.45 -39.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 28' ' ' SER . 11.3 p -125.05 -41.89 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.217 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.437 ' N ' HG13 ' A' ' 27' ' ' VAL . 2.0 m -60.23 166.24 3.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 60.7 p -176.5 94.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -84.53 -31.76 24.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 29' ' ' SER . 52.3 m-85 60.62 171.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 m -129.75 127.86 41.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.435 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 4.5 t -71.51 -30.43 65.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.41 27.65 7.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -111.71 -33.86 6.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.0 t -160.51 162.26 32.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.856 ' HB2' HG22 ' A' ' 5' ' ' THR . 0.6 OUTLIER -72.05 -26.82 62.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.992 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.47 114.58 2.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.965 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.66 87.28 2.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.6 167.33 24.55 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.583 2.188 . . . . 0.0 112.317 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 t -85.69 57.14 4.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.853 0.358 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.831 HG21 ' HB2' ' A' ' 15' ' ' LEU . 0.2 OUTLIER 60.41 107.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.87 150.07 30.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.76 -150.68 22.97 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.517 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.23 -45.39 0.88 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.646 2.231 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.03 39.44 1.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 91.9 m -128.16 178.8 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -150.31 -167.54 2.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -62.23 83.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 t 59.92 36.63 21.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.88 116.64 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.831 ' HB2' HG21 ' A' ' 5' ' ' THR . 4.6 tt -70.11 148.96 48.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.62 ' N ' HD23 ' A' ' 15' ' ' LEU . 29.8 mmtp -67.76 155.4 91.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.44 144.45 55.8 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.542 2.162 . . . . 0.0 112.296 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.501 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -58.82 134.92 57.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.59 -28.38 11.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.56 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.4 m -62.15 126.33 26.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -62.57 135.02 57.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.4 m -65.27 -53.84 38.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -102.7 -36.91 8.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.41 72.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.465 HG22 ' H ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -115.34 -173.85 2.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.465 ' H ' HG22 ' A' ' 25' ' ' THR . 26.3 t -64.05 -31.3 72.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 27' ' ' VAL . 11.5 p -160.12 50.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 m -146.88 36.17 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.837 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.3 m -71.22 118.91 14.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -98.33 -31.28 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 63.05 121.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.07 158.22 11.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.405 HG23 ' HG2' ' A' ' 35' ' ' ARG . 9.8 t -81.29 -41.3 22.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.501 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 98.59 40.38 3.42 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.539 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.405 ' HG2' HG23 ' A' ' 33' ' ' THR . 8.7 ptm180 -171.51 -41.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.965 0.412 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.51 ' C ' HD11 ' A' ' 15' ' ' LEU . 44.1 t -133.69 165.18 25.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -29.97 64.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.38 95.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.9 m -60.05 150.19 71.22 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.36 176.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.596 2.197 . . . . 0.0 112.295 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 m -109.54 -28.67 8.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.935 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.2 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.857 0.361 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.853 HG21 HD12 ' A' ' 15' ' ' LEU . 0.5 OUTLIER 60.41 106.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m -124.84 148.82 48.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.65 -157.63 27.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.9 -31.86 19.09 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.52 2.147 . . . . 0.0 112.325 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.92 31.05 3.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.7 m -136.46 115.98 12.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -97.53 82.67 3.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 60.87 70.96 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 59.95 35.66 21.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -147.02 101.82 3.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.853 HD12 HG21 ' A' ' 5' ' ' THR . 0.8 OUTLIER -62.59 143.85 56.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.432 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -79.35 151.25 74.9 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.03 143.54 40.34 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.594 2.196 . . . . 0.0 112.348 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 126.2 26.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.92 28.53 9.96 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.8 m -105.4 144.22 32.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.41 120.39 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.0 m -69.81 -52.07 28.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -130.74 97.88 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -88.02 130.28 35.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.2 p -149.95 -78.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.0 t -177.63 -39.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -87.18 -31.41 5.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.09 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.0 m -137.41 176.57 8.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.41 -44.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.0 m170 60.4 -177.41 0.1 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -146.75 120.39 9.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.81 169.29 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 t -99.94 -36.34 9.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.78 -29.07 11.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.449 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.7 mmm-85 -73.36 -32.88 64.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.411 ' C ' HD11 ' A' ' 15' ' ' LEU . 73.2 p -144.55 166.76 24.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.11 -30.43 65.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.28 117.92 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.3 t -85.92 136.87 35.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -52.08 141.03 48.98 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.437 2.091 . . . . 0.0 112.351 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.57 36.07 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.2 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.802 0.334 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.642 HG21 HD12 ' A' ' 15' ' ' LEU . 4.2 p -59.77 120.92 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m -128.45 148.92 50.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.86 -169.41 25.63 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.493 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.32 -34.95 72.8 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.59 2.193 . . . . 0.0 112.352 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.16 28.91 3.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.007 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.9 m -147.38 130.97 16.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -108.96 111.27 22.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.797 179.935 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 64.15 -79.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.4 t -147.16 36.9 0.93 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -143.72 141.16 30.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.642 HD12 HG21 ' A' ' 5' ' ' THR . 0.8 OUTLIER -88.1 138.35 31.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' N ' HD23 ' A' ' 15' ' ' LEU . 20.4 mmtt -60.32 155.07 49.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.39 144.39 55.82 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.545 2.163 . . . . 0.0 112.331 179.956 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.71 137.38 57.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.0 -28.22 14.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.2 m -60.06 133.14 55.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.954 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.6 p -78.68 133.37 37.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.17 -31.64 72.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -168.45 127.76 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.4 ttt-85 -134.57 100.55 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.05 -33.12 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -176.44 -77.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.59 -32.34 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.119 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.27 79.63 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.7 m -104.89 114.39 28.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -97.08 169.54 9.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -137.87 112.44 8.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.5 t -60.11 131.98 52.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.07 -40.91 91.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.5 -28.04 14.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.8 mtt85 -92.01 -32.1 15.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.5 m -133.36 157.38 45.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.24 -25.66 61.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -57.28 130.47 46.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.047 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -110.97 89.28 9.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -68.89 145.87 63.65 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.56 2.173 . . . . 0.0 112.24 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.28 57.27 4.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.956 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.837 0.351 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.704 ' O ' HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER 59.8 162.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.963 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.704 HG23 ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -169.79 143.86 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.998 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.7 -173.96 38.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.592 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.24 -22.36 22.25 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.628 2.218 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.3 t -95.66 40.08 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.056 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.9 p -177.44 169.12 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.76 160.55 34.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 60.44 30.57 19.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.64 35.43 22.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -145.52 124.53 12.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.486 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -59.39 129.89 44.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.625 ' HE2' HG21 ' A' ' 20' ' ' THR . 13.2 mttt -59.89 162.03 10.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.23 145.91 61.71 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.535 2.157 . . . . 0.0 112.307 179.928 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.61 91.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.183 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.1 -29.15 0.25 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.625 HG21 ' HE2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -63.18 172.25 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.851 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.482 ' O ' HG23 ' A' ' 21' ' ' THR . 10.2 t -127.72 114.88 17.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.0 p -59.09 -21.3 58.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.494 ' CD1' HG22 ' A' ' 25' ' ' THR . 1.1 t-105 66.71 91.65 0.08 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.423 ' HG3' ' CD2' ' A' ' 30' ' ' HIS . 4.0 mmt85 -76.84 -29.07 55.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.029 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.494 HG22 ' CD1' ' A' ' 23' ' ' TRP . 9.2 p 55.69 28.02 11.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.059 -179.896 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.7 t -126.95 -49.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.798 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.9 m -136.34 10.31 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.659 179.878 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.65 176.1 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.84 0.352 . . . . 0.0 110.954 179.81 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 26.2 m 58.35 89.89 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.016 179.92 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.423 ' CD2' ' HG3' ' A' ' 24' ' ' ARG . 43.1 m-70 -161.41 104.14 1.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -123.55 172.34 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 29.8 m -117.06 154.39 31.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.6 p -105.93 29.48 6.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 57.68 27.68 59.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.618 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.71 -33.06 11.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.832 0.349 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -176.81 172.64 2.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.5 m -71.67 -29.87 65.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -66.44 102.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 147.78 79.93 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.79 172.13 14.24 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.528 2.152 . . . . 0.0 112.264 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m -100.54 31.5 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.404 ' CB ' ' HA ' ' A' ' 13' ' ' CYS . 17.6 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.836 0.35 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.1 94.9 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.853 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.88 141.45 30.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.32 -172.63 41.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.07 -21.83 20.11 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.612 2.208 . . . . 0.0 112.591 -179.907 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -95.54 21.84 7.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.298 -179.899 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.1 m -146.45 171.31 15.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.881 0.372 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -100.29 -78.77 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.699 179.861 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.429 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -138.55 6.43 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.621 179.964 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 41.8 t 176.38 -33.11 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.775 0.322 . . . . 0.0 111.116 179.884 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.63 130.2 54.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.718 -179.854 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.553 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.0 pp -79.55 156.54 27.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 -179.886 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.553 ' O ' HD12 ' A' ' 15' ' ' LEU . 29.9 mttt -77.64 152.15 80.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -51.79 145.03 32.77 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.611 2.207 . . . . 0.0 112.304 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.563 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -58.49 115.68 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.42 -27.59 2.97 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.72 150.59 27.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -70.98 137.91 49.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.53 -31.68 14.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -157.77 116.09 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.69 132.35 44.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 t -176.45 161.74 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -88.27 54.52 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -151.92 -45.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.185 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.6 m -152.81 176.67 11.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 p -151.06 112.7 4.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -106.93 106.85 17.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -73.9 152.3 40.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.9 t -79.48 166.64 21.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.4 t -104.12 -44.62 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.563 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 105.14 -28.8 13.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.544 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.0 ptt180 -72.3 -31.53 65.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.08 170.69 21.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -31.03 65.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -59.73 114.49 2.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 m -92.17 166.49 17.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.06 151.44 16.47 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.597 2.198 . . . . 0.0 112.317 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.4 t -87.54 -32.76 19.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 38.1 p90 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.967 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.9 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.829 0.347 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.5 95.9 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.16 148.84 50.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.11 -153.01 24.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.536 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.5 -34.1 9.9 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.569 2.179 . . . . 0.0 112.37 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.3 t -98.38 30.5 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.0 m -134.31 129.38 35.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.15 -70.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -123.09 71.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.96 33.75 21.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.82 172.16 13.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.658 HD11 ' N ' ' A' ' 36' ' ' SER . 1.7 tt -100.6 126.8 47.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.464 ' N ' HD23 ' A' ' 15' ' ' LEU . 19.8 mttt -64.15 160.06 51.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 144.11 53.45 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.633 2.222 . . . . 0.0 112.282 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 33' ' ' THR . . . -59.25 106.54 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.939 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.5 -28.88 2.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.526 -179.949 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.3 m -72.9 144.63 47.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.803 0.335 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.496 HG21 ' HB3' ' A' ' 28' ' ' SER . 61.4 p -59.3 157.22 11.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.1 t -85.68 -27.13 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.044 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.407 ' O ' ' CG ' ' A' ' 23' ' ' TRP . 0.9 OUTLIER -154.42 122.46 5.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.889 179.854 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.503 ' O ' HG23 ' A' ' 25' ' ' THR . 0.0 OUTLIER -67.5 146.36 54.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.993 -179.952 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 24' ' ' ARG . 19.8 p -159.61 -44.94 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 p -176.99 -39.22 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 28' ' ' SER . 11.4 p -153.49 -44.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.21 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.496 ' HB3' HG21 ' A' ' 21' ' ' THR . 43.2 t 60.58 165.48 0.07 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -162.33 38.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -112.96 -56.96 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 62.64 147.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -90.9 170.67 9.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.501 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 62.7 p -103.61 -31.24 10.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.02 27.68 6.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.543 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.16 -32.88 6.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.658 ' N ' HD11 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -165.92 172.45 11.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -31.34 66.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -67.56 98.42 0.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.3 p -80.3 149.66 69.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.26 177.25 6.12 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.632 2.221 . . . . 0.0 112.304 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.18 -31.86 9.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.996 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.5 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.56 82.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.2 p -136.28 141.99 43.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.72 -154.97 16.36 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.518 179.954 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.92 -28.36 24.6 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.589 2.192 . . . . 0.0 112.321 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.07 -56.93 3.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.9 m -59.8 147.31 38.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.85 -74.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -120.89 71.54 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.5 t 60.77 31.15 20.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -134.69 139.04 44.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.615 HD11 ' C ' ' A' ' 36' ' ' SER . 6.7 tp -79.84 131.68 35.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -63.66 149.36 92.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.31 144.07 40.91 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.59 2.193 . . . . 0.0 112.307 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.02 87.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.88 -28.17 1.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.546 -179.95 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 21' ' ' THR . 0.2 OUTLIER -60.22 172.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.319 . . . . 0.0 110.92 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.482 HG22 ' CD2' ' A' ' 31' ' ' TYR . 67.4 p -100.5 175.22 5.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.3 p -128.14 -45.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -135.03 79.24 1.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 ttp-105 -100.24 112.65 24.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.13 31.18 3.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.0 m 59.98 64.37 1.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 p -178.65 -38.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -133.01 168.88 17.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.0 m -160.79 82.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 65.5 m170 -73.61 -31.37 63.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.482 ' CD2' HG22 ' A' ' 21' ' ' THR . 9.0 m-85 61.1 155.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -113.11 125.54 54.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.3 p -71.59 -30.87 66.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.81 27.13 7.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.531 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -111.77 -33.84 6.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.615 ' C ' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -154.76 170.49 21.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.933 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.25 -31.53 65.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -66.08 119.29 11.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 149.42 67.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.05 177.4 5.82 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.554 2.169 . . . . 0.0 112.302 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.1 m -125.32 35.33 4.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.943 179.984 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.846 0.355 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 60.8 87.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.6 p -86.42 158.8 19.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.9 -172.34 32.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.544 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.26 -14.14 28.38 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.623 2.215 . . . . 0.0 112.654 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -96.83 30.22 2.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.792 0.33 . . . . 0.0 111.057 -179.949 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.2 p -175.81 171.28 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -127.85 -75.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -117.66 73.89 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.0 t 59.82 31.01 20.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -148.61 99.49 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 pp -60.1 147.89 37.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -74.34 158.21 85.59 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -51.97 144.47 36.35 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.573 2.182 . . . . 0.0 112.343 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.78 103.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.14 -27.33 1.41 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.59 130.74 48.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.849 0.356 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.29 161.03 7.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.1 t -106.63 -55.85 2.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.567 ' CD2' HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER -104.46 -33.79 8.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.961 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.2 ptp85 45.05 40.04 4.29 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.371 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.567 HG21 ' CD2' ' A' ' 23' ' ' TRP . 66.4 p -95.22 169.58 9.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.1 m -85.41 57.35 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -178.5 -38.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 m -130.93 108.85 10.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 t -95.85 79.64 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -79.81 146.44 32.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -131.31 150.68 52.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 t -72.67 172.29 10.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.7 p -109.99 -54.44 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.95 55.55 0.34 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -177.38 -39.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.0 p -122.73 172.47 8.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.8 t -123.71 30.09 6.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -111.39 91.92 3.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.69 110.04 2.32 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.37 176.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.431 2.088 . . . . 0.0 112.314 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.4 m -96.34 -31.61 12.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.7 p90 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.948 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.82 0.343 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.16 92.43 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.3 p -137.61 159.22 42.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.49 -154.72 24.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.521 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.02 -34.88 12.89 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.566 2.177 . . . . 0.0 112.348 179.966 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.8 t -108.74 34.78 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -156.23 165.51 36.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -174.94 126.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 60.87 42.17 13.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.0 m 60.52 36.57 19.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -136.98 139.25 41.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.789 HD11 ' N ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -91.63 136.84 32.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -75.52 152.05 85.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.18 143.49 41.96 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.559 2.173 . . . . 0.0 112.306 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.97 140.99 56.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.74 -28.48 15.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.9 m -60.64 128.83 38.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.506 HG22 ' HB3' ' A' ' 29' ' ' SER . 11.9 p -60.24 153.98 21.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 p -131.82 35.15 3.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -164.66 -69.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 59.81 89.81 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.89 -44.38 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -165.09 -43.2 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 28' ' ' SER . 11.3 p -155.47 -44.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.204 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.473 ' N ' HG13 ' A' ' 27' ' ' VAL . 24.5 m -60.34 97.25 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.506 ' HB3' HG22 ' A' ' 21' ' ' THR . 57.8 m -86.23 108.76 18.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -60.7 -31.21 70.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 29' ' ' SER . 23.5 m-85 61.24 154.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.7 t -109.31 151.03 27.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.61 HG23 ' HD3' ' A' ' 40' ' ' PRO . 63.2 p -62.69 -60.43 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 134.56 -27.38 3.23 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.531 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -124.99 30.75 5.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.758 0.313 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.789 ' N ' HD11 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -158.04 144.42 17.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.838 179.984 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 74.5 m -72.96 -18.8 61.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.044 179.941 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -102.09 161.81 13.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.874 0.369 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.2 m -116.41 151.57 47.08 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.61 ' HD3' HG23 ' A' ' 33' ' ' THR . 56.9 Cg_endo -70.69 171.66 15.05 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.547 2.165 . . . . 0.0 112.362 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.8 m -98.72 31.39 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.968 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.838 0.351 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.7 p -130.66 116.71 18.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -129.89 136.49 49.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.65 -169.12 36.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.67 -25.44 20.66 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.565 2.177 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.9 29.46 3.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.043 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.1 p -177.2 121.6 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -115.65 134.12 55.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 60.74 40.05 16.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 m 61.24 31.98 19.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.63 115.67 21.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.542 HD21 ' HA ' ' A' ' 36' ' ' SER . 1.0 OUTLIER -60.14 141.83 55.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.77 ' HD2' HG21 ' A' ' 20' ' ' THR . 3.8 mttt -86.37 157.97 55.39 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.0 143.36 72.11 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.559 2.173 . . . . 0.0 112.291 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.38 111.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.73 25.25 4.33 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.605 179.998 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.77 HG21 ' HD2' ' A' ' 16' ' ' LYS . 21.5 m -93.02 163.29 13.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.422 ' N ' HG22 ' A' ' 20' ' ' THR . 1.0 OUTLIER -74.09 105.44 5.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.944 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.5 t -60.02 -66.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -148.12 104.48 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.36 96.68 5.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.2 p -100.69 -37.62 8.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.3 t -178.79 -39.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.75 -36.25 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.178 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 t -62.0 154.18 27.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 p -176.66 79.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -107.25 -176.91 3.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -136.85 149.61 47.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.8 135.43 34.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 35' ' ' ARG . 8.8 t -74.31 -41.5 61.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.97 179.956 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.89 26.01 5.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.545 179.928 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.407 ' H ' HG23 ' A' ' 33' ' ' THR . 0.4 OUTLIER -112.59 -34.5 5.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 179.972 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.542 ' HA ' HD21 ' A' ' 15' ' ' LEU . 13.1 t -160.58 171.0 19.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.976 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -31.16 65.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.37 104.84 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.55 146.3 80.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.74 176.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.516 2.144 . . . . 0.0 112.325 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.66 -31.59 7.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.981 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.863 0.364 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.91 131.7 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.7 p -124.72 146.8 48.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.65 179.71 48.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.51 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.06 63.04 1.96 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.598 2.199 . . . . 0.0 112.32 179.989 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.2 t -166.23 -65.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.0 p -69.85 177.18 3.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.7 mmt-85 -137.84 96.72 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 60.82 69.4 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.7 t 57.87 65.16 1.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.22 80.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 mt -58.02 111.46 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.896 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 mmtm -67.26 148.84 98.69 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.18 143.16 43.19 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.568 2.178 . . . . 0.0 112.352 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.47 98.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.76 -28.28 0.75 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.5 m -60.05 136.31 57.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.326 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.404 HG22 ' CE2' ' A' ' 31' ' ' TYR . 68.8 p -75.58 125.85 29.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.22 -40.19 89.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.696 ' NE1' HG23 ' A' ' 25' ' ' THR . 23.5 t-105 60.35 98.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -62.62 -27.72 69.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.91 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.696 HG23 ' NE1' ' A' ' 23' ' ' TRP . 0.2 OUTLIER 64.75 39.88 6.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 179.977 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.4 p -144.74 -49.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 179.922 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 27' ' ' VAL . 14.5 p -178.72 37.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.051 179.943 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' ' CZ3' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -177.87 177.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.966 179.955 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.1 t -145.88 126.65 14.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -103.61 -177.32 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.404 ' CE2' HG22 ' A' ' 21' ' ' THR . 35.5 m-85 -130.07 130.37 44.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.7 149.21 49.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.05 -63.19 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.69 -28.62 2.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -84.15 -33.69 24.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.949 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -144.84 158.67 43.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 81.9 m -72.0 -26.43 62.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -67.37 111.54 4.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.03 153.23 96.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.53 175.33 8.05 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.552 2.168 . . . . 0.0 112.296 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 t -77.88 -32.84 52.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 31.3 p90 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 -179.982 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.1 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.818 0.342 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 t -75.08 163.68 27.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -177.25 154.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.43 -156.49 27.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 -179.931 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.96 -37.08 1.71 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.662 2.241 . . . . 0.0 112.551 -179.829 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.6 t -84.66 56.88 4.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.042 -179.808 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 p 176.24 169.33 0.44 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.867 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -122.5 85.47 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.826 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 60.59 72.43 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.4 t 61.53 69.99 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.81 -179.903 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -177.83 98.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.497 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -57.92 133.97 55.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.029 179.985 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -73.51 154.38 89.75 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.36 144.05 41.49 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.576 2.184 . . . . 0.0 112.303 179.95 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.84 113.78 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.62 -27.8 3.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -59.89 164.19 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.879 HG22 ' O ' ' A' ' 30' ' ' HIS . 1.2 p -105.28 151.83 23.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.7 m -90.34 -74.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.496 ' CH2' HG21 ' A' ' 25' ' ' THR . 12.1 t90 -102.7 150.35 23.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -155.06 84.83 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.496 HG21 ' CH2' ' A' ' 23' ' ' TRP . 3.4 t -97.92 -38.4 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.6 t -179.2 -39.47 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -121.96 -40.18 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.153 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.426 ' HB2' ' CE3' ' A' ' 23' ' ' TRP . 22.4 m -79.29 100.29 7.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.1 p -97.5 -34.39 11.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.879 ' O ' HG22 ' A' ' 21' ' ' THR . 5.1 m170 59.39 162.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 30' ' ' HIS . 45.6 m-85 -150.55 102.93 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.27 172.19 1.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.7 t -109.45 -31.23 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.47 26.84 8.98 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.57 -179.955 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -112.43 -34.27 5.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.82 172.25 18.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.4 m -72.3 -29.73 64.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -59.29 102.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 80.7 m -59.64 148.86 73.62 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.61 177.5 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.527 2.152 . . . . 0.0 112.292 -179.95 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.401 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 5.8 p -124.93 31.49 5.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.401 ' CG ' ' O ' ' A' ' 41' ' ' SER . 6.4 m-85 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.817 0.341 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -106.74 -31.3 8.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 60.84 39.32 17.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -157.22 94.05 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.556 HG21 ' HG2' ' A' ' 38' ' ' GLU . 6.8 m -60.27 146.83 42.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.79 172.07 7.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.13 -163.66 29.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.519 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.22 167.5 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.624 2.216 . . . . 0.0 112.31 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.5 m 60.09 32.35 20.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.56 175.87 9.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -169.0 90.14 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 60.7 60.69 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 60.12 31.46 20.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.01 117.77 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.501 HD22 ' HA ' ' A' ' 35' ' ' ARG . 3.7 pp -60.2 151.57 26.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -86.48 160.39 51.0 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.17 143.69 41.08 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.57 2.18 . . . . 0.0 112.317 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.81 127.11 30.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.66 28.23 6.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 21' ' ' THR . 48.8 m -96.16 161.2 14.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.426 ' N ' HG22 ' A' ' 20' ' ' THR . 0.7 OUTLIER -86.84 142.22 28.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.2 t -102.75 75.5 1.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.1 t90 60.91 80.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 -63.38 130.63 45.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.49 HG23 ' H ' ' A' ' 27' ' ' VAL . 9.9 t -176.56 179.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -98.76 30.82 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.49 ' H ' HG23 ' A' ' 25' ' ' THR . 21.5 t -112.06 -33.31 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.5 t -176.73 96.73 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.401 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 3.4 m -71.36 119.83 16.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.401 ' CD2' ' O ' ' A' ' 29' ' ' SER . 43.9 m170 -140.48 -178.44 5.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -145.98 172.23 13.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 75.2 m -94.11 162.8 13.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.2 p -87.52 -68.63 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.67 -28.45 0.84 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.501 ' HA ' HD22 ' A' ' 15' ' ' LEU . 47.8 mtt85 -134.97 36.31 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -161.85 172.38 16.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.5 m -125.98 31.56 5.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.556 ' HG2' HG21 ' A' ' 5' ' ' THR . 4.5 mm-40 -106.22 144.33 33.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.2 t -114.82 86.39 13.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.16 177.39 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.586 2.19 . . . . 0.0 112.32 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -105.69 31.62 4.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -92.82 150.46 39.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.95 -27.07 26.0 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.526 2.151 . . . . 0.0 112.373 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -136.2 144.04 15.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -160.91 138.75 9.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.36 -1.244 . . . . 0.0 112.545 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.835 0.35 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 6.7 ttm -149.05 80.1 1.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -94.12 159.53 15.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 51.2 t -177.51 -39.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.535 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 60.39 109.3 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.93 172.06 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.93 -155.61 16.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.91 155.08 66.32 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.529 2.153 . . . . 0.0 112.354 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.9 t 64.69 32.38 11.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.1 p -177.16 122.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -133.48 138.06 45.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 60.31 39.5 18.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 t 61.25 33.15 19.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -136.14 107.79 7.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.24 156.59 15.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -87.9 148.03 42.42 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.77 139.44 58.93 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.598 2.198 . . . . 0.0 112.303 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.91 90.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.51 -27.85 0.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -59.67 165.81 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.876 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 t -107.91 122.19 46.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.4 m -66.31 93.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.455 ' CH2' HG21 ' A' ' 25' ' ' THR . 27.2 t90 60.61 110.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -105.39 144.28 32.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.455 HG21 ' CH2' ' A' ' 23' ' ' TRP . 23.6 p -133.03 32.34 3.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.45 35.48 20.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -178.5 -38.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.1 m -84.26 119.3 24.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.76 102.06 4.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -103.28 -32.15 9.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 60.28 104.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 t -60.3 168.94 1.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.6 p -108.5 -31.08 7.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.82 27.75 10.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.562 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -112.21 -33.74 6.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.333 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -158.55 172.77 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.535 ' SG ' HG22 ' A' ' 5' ' ' THR . 65.2 m -71.8 -31.16 66.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -59.12 134.58 57.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 96.1 m -129.13 88.43 51.26 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -51.7 154.1 10.0 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.542 2.162 . . . . 0.0 112.325 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.39 57.3 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -106.98 79.6 0.7 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.95 -167.92 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.545 2.163 . . . . 0.0 112.335 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.78 -40.48 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -78.4 141.09 38.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.503 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.795 0.331 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.88 -32.53 10.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.33 -44.04 76.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.1 t 60.64 84.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.849 HG21 HD23 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -61.45 131.03 48.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 54.4 m -150.83 134.77 16.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.61 -170.52 41.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.41 -54.3 5.42 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.592 2.195 . . . . 0.0 112.289 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.4 t -76.48 -53.2 8.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.7 m -55.47 162.47 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.39 -166.71 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.771 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -58.57 88.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 61.25 49.21 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.59 111.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.849 HD23 HG21 ' A' ' 5' ' ' THR . 3.9 pp -66.61 169.52 7.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -90.08 146.3 34.72 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.015 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.1 146.2 49.76 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.569 2.179 . . . . 0.0 112.297 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.13 112.53 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.16 -27.54 5.31 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -59.65 166.6 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.2 p -79.58 161.21 26.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.3 t -103.67 -48.73 3.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.439 ' CZ2' ' CG2' ' A' ' 25' ' ' THR . 6.4 t90 -149.02 142.98 25.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -139.98 108.14 5.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.439 ' CG2' ' CZ2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -105.46 -34.7 7.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -178.14 -39.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 28' ' ' SER . 12.4 p -128.99 -43.97 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.456 ' N ' HG13 ' A' ' 27' ' ' VAL . 3.0 t -76.61 102.72 6.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -92.67 -32.07 14.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.5 m170 60.63 -176.72 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -155.15 124.95 6.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.36 164.07 4.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.9 t -84.24 -38.78 20.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.05 40.92 5.71 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.535 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -174.73 -40.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.79 153.07 48.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 84.2 m -72.46 -23.27 61.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -57.35 120.52 8.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.951 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.59 89.09 14.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -51.49 136.87 48.84 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.561 2.174 . . . . 0.0 112.331 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.1 t -85.32 57.19 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -160.22 78.97 2.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.29 -169.78 0.38 Allowed 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.591 2.194 . . . . 0.0 112.301 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.76 59.05 0.38 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -155.72 -57.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.557 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.816 0.341 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 9.8 ptt? -148.67 169.84 19.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 60.63 105.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.9 t -140.42 108.02 5.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 t -59.99 150.46 28.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.3 p -153.42 143.21 21.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.06 178.76 16.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.85 53.85 4.93 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.695 2.263 . . . . 0.0 112.542 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.93 37.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.974 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.9 p -171.48 142.53 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -60.59 -173.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -56.57 -30.05 62.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -159.66 31.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.92 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -140.81 153.74 45.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.556 HD13 ' H ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -89.38 138.22 31.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.556 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -76.34 166.84 41.82 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.15 143.02 52.35 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.539 2.159 . . . . 0.0 112.34 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.87 108.23 5.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.28 35.11 1.13 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.511 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.0 t -120.82 173.3 7.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.15 158.42 28.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.1 t -141.29 -47.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.448 ' CZ2' HG21 ' A' ' 25' ' ' THR . 24.4 t90 -159.78 80.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -84.02 136.32 34.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.448 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 26.4 p -153.9 -170.03 3.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.0 p -98.49 29.72 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.79 -40.99 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.3 p -163.74 -170.01 2.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.401 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 22.1 m -136.09 150.71 49.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.401 ' CD2' ' O ' ' A' ' 29' ' ' SER . 39.9 m80 -153.71 167.17 30.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -142.28 161.44 38.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.6 153.77 30.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.5 t -93.97 -35.49 12.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.42 -28.09 14.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -78.35 -32.81 49.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -149.56 162.12 40.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.6 t -72.25 -27.5 62.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -57.1 139.48 52.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.012 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.9 m -120.18 87.74 40.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -52.06 141.96 45.9 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.577 2.184 . . . . 0.0 112.269 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.3 p -85.32 57.3 4.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.424 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 57.4 t80 -132.26 139.69 35.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.808 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HD2' ' CD2' ' A' ' 42' ' ' TYR . 57.2 Cg_endo -71.11 129.13 15.7 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.44 2.093 . . . . 0.0 112.26 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.98 -169.19 32.5 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -80.09 -57.66 3.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.428 -1.206 . . . . 0.0 112.495 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.85 0.357 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 19.5 ptp -130.6 -178.17 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -90.55 151.73 21.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 t -153.08 121.41 6.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.23 153.28 22.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.44 172.01 13.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.26 -174.61 22.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -33.3 17.05 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.567 2.178 . . . . 0.0 112.249 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.2 t -98.06 37.48 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.17 134.88 54.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -97.79 85.57 3.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 63.9 -79.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.57 31.33 1.88 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -140.55 159.93 41.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mp -81.36 144.73 31.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.591 ' HD3' HG21 ' A' ' 20' ' ' THR . 38.1 mttt -85.47 162.56 47.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.3 136.6 40.78 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.535 2.156 . . . . 0.0 112.318 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.54 112.08 1.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.51 27.13 3.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.582 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.591 HG21 ' HD3' ' A' ' 16' ' ' LYS . 24.7 m -90.21 163.0 14.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.751 0.31 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.427 ' N ' HG22 ' A' ' 20' ' ' THR . 0.8 OUTLIER -101.48 95.52 6.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.921 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.0 p -91.27 -31.53 16.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -140.91 152.48 45.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -171.56 124.65 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.1 p -108.05 -77.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -177.58 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -87.26 -32.57 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 m -134.13 151.16 51.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.8 m -131.13 122.5 26.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 53.2 m170 -102.43 151.91 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -131.22 158.59 40.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.4 148.28 37.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.2 p -82.91 -35.56 26.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.56 -28.38 13.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -83.15 -33.25 26.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.349 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 p -142.6 163.72 32.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 36.1 m -72.13 -28.92 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.21 150.08 31.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -118.24 88.04 31.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -51.82 169.01 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.543 2.162 . . . . 0.0 112.344 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.2 m -98.2 35.91 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -91.17 149.5 39.95 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.19 108.39 2.15 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.592 2.195 . . . . 0.0 112.292 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.56 -97.61 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -107.32 -62.16 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.396 -1.225 . . . . 0.0 112.482 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.791 0.329 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -66.23 -55.69 14.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -68.65 -170.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.1 t -176.46 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.59 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 60.59 107.63 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 p -106.01 150.64 25.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.36 165.42 12.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.556 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.64 -21.4 31.43 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.671 2.247 . . . . 0.0 112.527 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 39.0 m -96.65 32.87 1.95 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.102 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.3 p -177.71 140.73 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.949 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -145.78 165.08 29.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.814 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.1 pm0 44.42 31.06 0.54 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.452 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 64.5 77.64 0.31 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.95 136.42 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.49 HD21 ' O ' ' A' ' 35' ' ' ARG . 0.6 OUTLIER -84.86 126.45 33.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.5 ' HD3' HG21 ' A' ' 20' ' ' THR . 25.7 mttp -73.61 160.34 82.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.809 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.73 141.37 49.42 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.578 2.185 . . . . 0.0 112.274 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.528 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -57.42 100.45 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.94 -26.45 0.92 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.5 HG21 ' HD3' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -58.61 153.46 16.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.814 0.34 . . . . 0.0 110.947 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.604 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.7 OUTLIER -91.56 145.75 24.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.3 p -103.8 -38.19 7.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -106.7 -47.75 3.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.46 ' O ' HG23 ' A' ' 25' ' ' THR . 0.1 OUTLIER 57.59 105.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.947 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 24' ' ' ARG . 31.4 p -158.49 165.02 35.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -86.66 55.92 3.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 p -178.69 -38.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.0 m -103.7 -78.31 0.56 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.4 t 60.02 77.6 0.31 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.604 ' O ' HG22 ' A' ' 21' ' ' THR . 8.3 m80 -84.04 174.74 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -135.22 149.67 49.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.9 m -82.47 136.77 34.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.8 p -64.4 -30.31 71.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.528 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 96.5 -26.98 19.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.49 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -92.41 -30.75 15.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.318 . . . . 0.0 110.929 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -138.01 156.16 48.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.59 ' SG ' HG22 ' A' ' 5' ' ' THR . 67.5 m -72.55 -24.68 61.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.053 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.68 127.2 28.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.12 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.8 t -103.72 94.15 5.91 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.79 151.76 78.26 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.473 2.116 . . . . 0.0 112.333 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -60.64 -30.08 69.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -114.63 86.9 13.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.76 -27.64 34.93 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.549 2.166 . . . . 0.0 112.343 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -136.11 -140.87 4.22 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.522 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 60.29 80.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.49 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.842 0.353 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 10.5 ptp -106.15 -43.72 4.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -144.03 -63.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -77.32 134.98 38.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.7 p -60.18 111.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.6 p -128.36 132.38 48.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.82 -156.63 22.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.93 -34.16 14.55 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.579 2.186 . . . . 0.0 112.283 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.68 -51.69 5.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.4 m -59.42 144.17 47.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.78 84.64 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 61.47 68.98 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.7 t 60.04 68.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -170.85 106.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -72.06 128.28 35.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -79.36 154.21 76.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.31 141.65 49.29 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.596 2.197 . . . . 0.0 112.303 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.69 110.74 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.25 34.77 1.17 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.4 m -98.25 149.84 22.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.797 HG21 ' CZ ' ' A' ' 24' ' ' ARG . 45.2 p -70.96 118.21 13.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.44 -33.19 21.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.586 ' CZ2' HG21 ' A' ' 25' ' ' THR . 4.8 t90 -137.48 100.19 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.797 ' CZ ' HG21 ' A' ' 21' ' ' THR . 0.7 OUTLIER -89.23 74.11 7.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.586 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 0.6 OUTLIER -111.62 -14.8 13.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.21 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.04 31.2 0.85 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.925 0.393 . . . . 0.0 110.656 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m -113.22 -31.06 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.171 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.1 p -164.37 -169.87 1.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.9 m -132.47 126.8 33.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -116.16 -39.36 3.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 61.58 153.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.67 139.66 37.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.656 HG23 ' HD3' ' A' ' 40' ' ' PRO . 57.1 p -60.77 -47.47 86.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.11 -37.71 3.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -33.08 64.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -136.05 166.67 22.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.07 -30.77 65.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -62.96 133.43 54.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.47 145.84 30.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.656 ' HD3' HG23 ' A' ' 33' ' ' THR . 52.4 Cg_exo -52.73 177.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.552 2.168 . . . . 0.0 112.298 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 t -146.06 31.59 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -159.78 88.4 1.96 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -51.49 104.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.582 2.188 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.39 -88.76 0.11 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.535 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -169.71 139.85 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.822 0.344 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.351 -1.249 . . . . 0.0 112.47 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.825 0.345 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 25.7 mtt 60.57 170.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -155.44 156.07 34.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.9 t -160.17 149.95 18.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.6 p -69.3 109.91 4.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.6 p -131.86 134.29 45.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.19 -177.31 34.11 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.15 -39.13 71.77 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.568 2.179 . . . . 0.0 112.311 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.9 t -98.89 31.81 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 72.1 m -151.19 127.78 10.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.01 151.44 42.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 60.6 35.83 19.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 60.75 36.12 19.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -150.51 163.91 37.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.522 HD23 ' N ' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -85.55 148.0 26.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.522 ' N ' HD23 ' A' ' 15' ' ' LEU . 31.1 mttt -78.78 154.07 78.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.86 143.39 50.2 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.556 2.171 . . . . 0.0 112.254 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.73 92.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.7 -28.52 0.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.489 HG21 ' HE2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -60.55 161.24 7.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.347 . . . . 0.0 110.909 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.9 OUTLIER -106.25 124.71 50.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.36 -32.83 64.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -158.33 116.65 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -158.02 118.48 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 25' ' ' THR . 10.0 t -176.65 74.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.6 m 59.54 30.56 20.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 28' ' ' SER . 11.4 p -134.91 -44.84 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.485 ' N ' HG13 ' A' ' 27' ' ' VAL . 4.8 t -167.58 -171.79 1.74 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -143.88 84.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.532 ' O ' HG22 ' A' ' 21' ' ' THR . 59.5 m170 -81.66 -178.01 6.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -159.72 151.58 20.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.1 m -98.81 153.74 18.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.1 p -103.4 -31.43 10.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.415 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . 90.73 28.38 16.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.446 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.6 -32.99 6.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.56 172.29 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 72.7 m -72.26 -31.64 65.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -66.79 111.1 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.51 149.2 64.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.15 151.17 66.7 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.576 2.184 . . . . 0.0 112.296 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 p -105.36 33.75 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -134.03 87.22 35.17 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.15 120.1 6.75 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.562 2.175 . . . . 0.0 112.315 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.7 147.59 35.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 60.46 159.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.526 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.819 0.343 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -142.04 -179.89 6.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -71.43 -174.62 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 m 60.59 99.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.5 82.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 m -108.85 153.07 24.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.57 -151.32 22.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.538 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.59 -37.76 6.8 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.56 2.173 . . . . 0.0 112.367 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.7 t -100.58 31.01 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.8 m -145.84 176.67 9.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.4 mtt-85 -157.33 131.21 8.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 62.63 -80.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -154.31 31.51 0.43 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -148.44 152.08 36.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.441 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -90.25 154.5 19.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -78.66 160.27 72.49 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.21 143.89 40.75 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.582 2.188 . . . . 0.0 112.309 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.434 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.29 117.49 4.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.14 28.3 3.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 21' ' ' THR . 8.0 m -91.27 164.7 13.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.822 0.344 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.402 ' N ' HG22 ' A' ' 20' ' ' THR . 0.8 OUTLIER -77.22 151.57 35.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 m -126.61 78.83 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.9 t90 60.68 106.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.21 139.97 53.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.575 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.7 OUTLIER -142.4 30.89 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.64 27.76 16.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.002 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 25' ' ' THR . 21.4 t -120.79 -39.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.15 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t -141.08 -171.45 3.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.12 154.25 49.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.421 ' CD2' ' HG3' ' A' ' 43' ' ' PRO . 4.5 t-160 -170.48 144.36 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -136.35 144.67 44.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 88.7 m -63.46 169.35 3.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.415 HG23 ' N ' ' A' ' 34' ' ' GLY . 10.0 t -93.16 -44.64 8.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.434 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 109.09 38.57 1.81 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.498 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -159.75 -44.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 p -128.99 164.96 22.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.06 -29.87 64.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -64.51 103.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.415 ' HB3' ' CE1' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -60.29 147.18 82.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.47 168.96 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.55 2.166 . . . . 0.0 112.293 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.5 m -102.53 -31.56 10.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -114.53 87.35 13.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HG3' ' CD2' ' A' ' 30' ' ' HIS . 54.1 Cg_exo -52.11 126.64 20.88 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.517 2.145 . . . . 0.0 112.337 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -161.51 28.84 0.29 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -120.4 -177.74 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.349 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.523 179.943 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.811 0.338 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 10.0 tpt -105.93 -65.59 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -160.69 134.04 6.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.39 113.26 12.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.2 p -95.69 143.39 26.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 12' ' ' GLN . 20.1 p -130.39 129.92 43.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.788 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.99 -153.83 8.11 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.619 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -74.79 -38.89 1.51 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.65 2.233 . . . . 0.0 112.639 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.8 t -81.81 -74.1 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.035 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.3 p -53.63 148.98 8.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.125 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -168.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.577 ' O ' HG22 ' A' ' 6' ' ' THR . 1.9 tt0 -59.08 -31.28 68.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -160.22 35.62 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.31 114.02 7.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 15' ' ' LEU . 7.4 tp -60.57 137.27 58.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HD2' HG21 ' A' ' 20' ' ' THR . 17.2 mmtt -79.69 161.92 64.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.61 133.69 32.85 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.557 2.171 . . . . 0.0 112.306 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.621 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.83 110.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.065 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.57 36.12 2.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.412 HG21 ' HD2' ' A' ' 16' ' ' LYS . 12.4 t -125.23 164.38 20.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.815 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.9 142.23 54.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.13 -38.95 7.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.493 ' CH2' HG21 ' A' ' 25' ' ' THR . 37.0 t90 -176.14 66.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.6 ptt-85 -60.02 125.5 23.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.493 HG21 ' CH2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -110.63 -33.5 6.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 m -178.72 -38.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 28' ' ' SER . 12.4 p -150.98 -44.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.192 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.488 ' N ' HG13 ' A' ' 27' ' ' VAL . 41.5 t -59.5 126.02 25.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.1 m -130.21 140.08 50.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 45.5 m170 -110.06 -31.25 7.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 63.68 136.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.06 142.38 39.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.1 p -78.8 -41.9 29.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.621 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 105.33 -26.95 20.19 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.528 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.31 -30.31 15.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.9 t -148.19 161.2 41.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.02 -27.27 62.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.054 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.76 98.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.974 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 89.9 m -76.86 149.15 80.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.32 177.4 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.556 2.171 . . . . 0.0 112.296 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -134.15 34.28 3.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.427 ' CD1' ' HD2' ' A' ' 43' ' ' PRO . 62.0 t80 -150.64 139.18 12.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HD2' ' CD1' ' A' ' 42' ' ' TYR . 56.4 Cg_endo -70.37 140.51 40.54 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.473 2.115 . . . . 0.0 112.318 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.74 -156.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.532 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -128.91 -67.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.335 -1.258 . . . . 0.0 112.463 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.852 0.358 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.4 ptm -134.45 35.49 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -95.19 110.01 22.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.5 t 60.32 107.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 p -60.31 159.7 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.74 141.17 26.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.37 -162.84 33.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.82 -36.44 10.64 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.614 2.21 . . . . 0.0 112.312 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.1 t -97.97 37.01 1.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.82 127.61 55.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -99.42 94.96 6.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.89 -79.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.51 37.48 0.83 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.72 136.29 24.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.587 HD11 ' CA ' ' A' ' 36' ' ' SER . 2.1 tt -68.75 121.82 17.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -60.16 148.49 78.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.5 136.3 56.49 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.546 2.164 . . . . 0.0 112.313 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.408 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.93 103.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.65 -26.16 2.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.568 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -58.68 147.9 31.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.2 p -60.39 154.73 19.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.43 -51.17 2.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -163.25 78.0 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -110.46 121.24 44.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.86 -36.24 9.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -178.51 -39.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -118.33 -37.61 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.197 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.4 p -60.01 163.56 4.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 m -164.22 124.32 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -126.07 -46.3 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 60.74 157.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.96 172.24 13.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -112.03 -37.38 5.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.408 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 96.49 -30.36 8.89 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.561 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 mtm-85 -72.15 -31.96 66.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.587 ' CA ' HD11 ' A' ' 15' ' ' LEU . 29.7 t -159.24 169.75 23.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.5 m -72.1 -30.73 65.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.17 134.82 54.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.6 147.88 38.85 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.46 172.2 0.17 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.581 2.187 . . . . 0.0 112.293 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -101.73 -31.11 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -105.3 87.89 2.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.17 136.92 35.88 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.519 2.146 . . . . 0.0 112.279 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 162.11 -28.82 0.27 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.477 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.69 111.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.511 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.816 0.341 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.3 mmt -60.38 162.24 6.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -70.62 92.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.1 t -60.48 163.1 5.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 t -88.31 141.96 28.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.69 157.41 43.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.64 -168.57 24.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.93 -38.67 1.15 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.647 2.232 . . . . 0.0 112.59 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.94 55.51 3.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.094 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.9 p 179.97 142.32 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -114.35 144.75 42.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 62.57 -80.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.47 37.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -145.77 143.02 29.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.0 pp -60.14 158.01 12.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.476 ' O ' HD12 ' A' ' 15' ' ' LEU . 29.1 mttt -87.09 162.42 43.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.76 144.64 54.69 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.611 2.207 . . . . 0.0 112.307 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.86 108.35 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.61 -27.34 2.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -59.6 157.03 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.48 HG22 ' CD1' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -103.26 134.45 46.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 87.0 m -60.3 -73.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.497 ' CZ2' HG21 ' A' ' 25' ' ' THR . 13.7 t90 -122.22 118.07 27.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -102.4 113.06 26.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.497 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 1.0 OUTLIER -133.32 32.08 3.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.0 m 60.73 32.11 20.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.61 -38.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.2 m -88.11 149.73 23.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 20.9 p -176.56 110.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -99.94 -32.03 11.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.48 ' CD1' HG22 ' A' ' 21' ' ' THR . 24.6 m-85 61.32 154.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -118.27 148.91 41.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 t -77.71 -30.93 52.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.26 27.17 7.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.554 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.69 -33.44 6.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.34 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 96.6 p -155.06 172.22 18.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.3 t -75.45 -29.62 59.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -58.56 109.53 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.6 m -60.61 149.77 77.47 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.31 177.44 5.96 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.589 2.193 . . . . 0.0 112.289 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.4 m -125.85 35.55 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -164.08 87.55 1.16 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.41 -27.14 28.48 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.541 2.161 . . . . 0.0 112.373 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.07 -152.69 50.38 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -104.24 -175.9 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.387 -1.23 . . . . 0.0 112.493 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.833 0.349 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.68 143.92 56.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -152.26 106.73 3.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 p -137.25 161.19 36.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.24 132.74 54.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.44 163.72 12.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.09 162.57 9.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.23 -35.29 62.85 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.577 2.184 . . . . 0.0 112.311 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.3 t -70.49 -39.52 74.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m -76.81 129.63 36.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.71 115.32 30.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 63.93 -79.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.9 t -156.19 68.92 0.62 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -170.53 150.64 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.594 HD11 ' C ' ' A' ' 35' ' ' ARG . 2.2 tt -89.98 118.73 29.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.423 ' O ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.78 149.16 85.91 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.35 143.58 43.19 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.569 2.179 . . . . 0.0 112.282 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.79 121.89 12.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.07 28.28 4.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.417 HG21 ' HD3' ' A' ' 16' ' ' LYS . 11.8 m -104.94 143.85 32.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.08 131.96 45.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.77 -52.36 65.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -157.03 79.63 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.553 ' O ' HG23 ' A' ' 25' ' ' THR . 4.1 ttt85 -65.0 125.13 23.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 24' ' ' ARG . 11.3 p -160.61 -78.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.2 p -177.99 -39.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -79.77 -32.69 14.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 t -113.55 175.54 5.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.75 36.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.438 ' CD2' ' HG3' ' A' ' 43' ' ' PRO . 12.1 m170 -69.2 -178.03 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -145.99 147.98 32.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.94 171.51 14.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 p -106.98 -67.35 0.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.525 ' O ' HD22 ' A' ' 15' ' ' LEU . . . 143.08 -36.56 1.58 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.524 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.594 ' C ' HD11 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -93.96 -31.31 14.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.902 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.7 m -128.29 172.59 10.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 m -122.45 29.38 6.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -98.33 103.46 15.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.37 110.0 2.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.44 172.8 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.464 2.109 . . . . 0.0 112.291 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.3 t -111.59 31.68 5.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -159.83 86.61 2.03 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.438 ' HG3' ' CD2' ' A' ' 30' ' ' HIS . 52.6 Cg_exo -52.54 -61.68 0.46 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.526 2.151 . . . . 0.0 112.334 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 162.41 -160.99 33.23 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.532 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -99.12 31.55 3.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.517 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.789 0.328 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -136.47 31.49 2.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.69 106.73 14.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.576 ' O ' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER -105.1 141.26 36.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.9 p -60.79 108.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 4' ' ' CYS . 2.4 t -153.55 138.6 17.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.49 -150.42 22.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.556 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.18 -59.92 0.93 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.596 2.198 . . . . 0.0 112.318 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 t -98.42 35.69 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 99.1 m -150.72 123.08 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -105.16 111.85 24.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 63.72 -80.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.2 m -147.72 36.38 0.87 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -137.64 136.42 37.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 16' ' ' LYS . 1.8 tt -97.63 123.84 41.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.504 ' O ' HD23 ' A' ' 15' ' ' LEU . 8.3 mttm -61.29 149.64 82.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.33 143.26 44.21 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.56 2.173 . . . . 0.0 112.288 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.765 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -60.7 108.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.45 -29.39 2.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.7 m -60.4 140.48 57.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.407 HG22 ' CD2' ' A' ' 31' ' ' TYR . 18.7 p -75.27 104.24 5.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.1 p -74.29 -31.56 62.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.4 t90 -134.33 121.37 21.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.707 ' O ' HG23 ' A' ' 25' ' ' THR . 6.4 ptt-85 -148.97 170.06 19.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 24' ' ' ARG . 0.7 OUTLIER -169.99 -42.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -172.25 -77.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.4 -31.23 4.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.6 p -90.89 118.86 30.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.38 113.85 9.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -106.38 121.51 44.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.407 ' CD2' HG22 ' A' ' 21' ' ' THR . 38.8 m-85 -86.91 172.11 10.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.21 172.31 10.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -103.24 -41.17 6.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.765 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 101.75 32.76 4.96 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.503 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -156.81 -45.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.0 m -129.71 167.82 17.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.1 m -72.28 -31.25 65.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -65.26 115.43 5.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.1 m -82.85 149.7 60.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.84 172.76 12.13 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.591 2.194 . . . . 0.0 112.351 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.9 t -107.05 33.11 4.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -106.3 85.85 1.86 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.96 -27.01 26.05 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.59 2.194 . . . . 0.0 112.366 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 173.59 -161.97 32.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -162.5 -74.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.485 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.837 0.351 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.9 ttt -104.93 163.93 12.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -133.64 145.76 50.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.719 ' O ' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER -145.62 133.34 21.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.2 p -60.39 91.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.719 HG22 ' O ' ' A' ' 4' ' ' CYS . 1.4 t -142.01 131.16 23.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.17 -150.07 9.2 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.87 -54.01 6.03 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.621 2.214 . . . . 0.0 112.323 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.5 m -81.05 -56.47 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.1 m -59.87 144.03 49.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -125.03 -74.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -91.32 55.97 2.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m 59.45 31.14 20.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -128.24 158.4 38.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.648 HD13 ' O ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -107.67 114.79 29.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -59.95 162.98 8.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -68.52 145.25 63.89 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.574 2.183 . . . . 0.0 112.278 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.04 101.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.21 -28.31 0.99 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.3 172.31 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.18 134.13 47.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.7 p -86.76 -39.38 16.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -141.42 112.1 7.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -108.32 113.59 26.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.21 -177.28 5.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.1 t -98.73 30.32 3.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.97 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 m -127.06 -43.23 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -155.79 -176.21 5.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -149.79 150.98 32.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 31' ' ' TYR . 6.3 m-70 -142.26 174.2 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 30' ' ' HIS . 23.9 m-85 -151.03 127.51 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 m -65.27 172.28 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.7 p -105.5 -31.26 9.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.648 ' O ' HD13 ' A' ' 15' ' ' LEU . . . 111.08 -27.99 10.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -31.53 53.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m -136.74 168.64 19.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 80.9 m -72.25 -31.64 65.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -65.53 164.45 14.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.0 p -130.1 54.31 14.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.29 106.35 1.74 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.563 2.175 . . . . 0.0 112.293 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.91 31.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.4 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 5.1 m-85 60.82 157.18 0.11 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.97 97.59 0.66 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.603 2.202 . . . . 0.0 112.297 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.65 119.3 17.63 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.548 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 60.53 165.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.336 -1.258 . . . . 0.0 112.452 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.818 0.342 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 9.5 mtp 60.4 34.93 20.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -103.61 106.95 17.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.3 t -130.57 109.43 10.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.2 p -82.7 110.22 17.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.4 p -130.93 149.01 52.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.64 -150.96 23.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.17 -35.76 10.88 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.607 2.205 . . . . 0.0 112.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 t -98.8 31.06 3.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.46 ' SG ' HD22 ' A' ' 15' ' ' LEU . 39.5 m -141.95 149.05 39.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.2 mtm-85 -92.22 -83.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -111.75 -27.75 8.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.792 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.7 t 179.94 38.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 pttm -144.31 172.66 12.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.99 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.51 HD21 ' C ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -105.92 126.38 52.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -60.41 148.71 79.46 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.51 143.1 46.58 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.601 2.2 . . . . 0.0 112.261 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.78 139.08 57.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.85 -26.99 21.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.6 m -59.19 130.79 48.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 p -60.2 159.47 9.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.24 -66.91 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.748 ' CZ2' HG21 ' A' ' 25' ' ' THR . 9.6 t90 -132.63 145.49 51.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.558 ' O ' HG23 ' A' ' 25' ' ' THR . 0.7 OUTLIER -128.5 126.51 40.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.961 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.748 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -163.69 31.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m 59.66 64.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -178.7 -38.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.1 t -162.0 132.56 4.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.84 -33.16 7.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.5 m80 59.96 -176.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -156.92 120.04 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.39 136.78 58.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.471 HG23 ' H ' ' A' ' 35' ' ' ARG . 8.8 t -66.89 -30.85 71.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.82 27.76 25.66 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.556 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.471 ' H ' HG23 ' A' ' 33' ' ' THR . 4.4 ttt180 -135.48 -45.91 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.957 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.51 ' C ' HD21 ' A' ' 15' ' ' LEU . 2.0 m -128.66 158.49 38.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.478 ' N ' HD21 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -72.39 -26.04 61.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.022 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -57.32 135.23 56.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.023 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.9 90.43 15.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.59 170.93 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.541 2.161 . . . . 0.0 112.39 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.3 m -114.75 70.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.421 ' N ' ' HD2' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -177.61 -61.85 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.026 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 42' ' ' TYR . 37.5 Cg_endo -65.97 72.95 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.413 2.075 . . . . 0.0 112.195 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -126.1 -86.68 0.62 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -140.33 161.28 38.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.475 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.8 0.333 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 13.1 mtp -144.35 -177.34 5.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.8 t0 60.57 37.23 19.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -177.46 -39.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.783 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 62.17 117.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.4 m -148.02 154.43 40.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.46 -175.09 43.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.538 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.25 -45.3 40.27 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.615 2.21 . . . . 0.0 112.316 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 t -97.36 39.44 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.0 m -144.56 118.26 9.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -77.71 102.79 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 63.94 -79.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -141.83 31.64 1.62 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.09 156.53 42.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.485 HD11 ' N ' ' A' ' 36' ' ' SER . 0.9 OUTLIER -100.43 126.15 46.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -60.96 156.29 48.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.6 143.88 53.08 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.523 2.149 . . . . 0.0 112.314 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.51 110.81 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.066 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.09 -28.52 2.92 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.62 172.27 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 p -86.93 174.57 8.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.7 t -129.91 -46.07 1.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -131.86 92.83 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.7 111.75 22.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.8 p -153.31 -169.8 3.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -108.77 67.1 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.42 -38.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.03 151.48 31.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -133.57 116.27 15.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -97.18 175.12 6.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -134.56 160.37 38.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.45 142.91 32.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.548 HG23 ' H ' ' A' ' 35' ' ' ARG . 9.6 t -95.9 -34.75 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.64 28.09 22.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.525 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.548 ' H ' HG23 ' A' ' 33' ' ' THR . 31.1 ttm-85 -109.8 -33.43 6.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.485 ' N ' HD11 ' A' ' 15' ' ' LEU . 2.0 t -162.65 168.17 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.783 ' SG ' HG22 ' A' ' 5' ' ' THR . 70.7 m -71.98 -29.63 64.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -62.41 103.81 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.25 147.78 57.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.46 174.35 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.589 2.193 . . . . 0.0 112.309 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.2 t -131.49 31.67 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -145.31 149.38 41.08 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.43 -167.93 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.606 2.204 . . . . 0.0 112.29 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -156.4 93.15 0.13 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m120 60.39 34.97 20.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.832 0.348 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.544 -179.958 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.852 0.358 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 28.5 mtt -134.01 -74.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -87.45 120.62 28.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.4 p -138.24 166.34 24.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.49 172.56 6.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.46 138.32 52.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.97 169.86 22.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.545 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.12 -20.93 48.56 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.683 2.255 . . . . 0.0 112.612 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.87 41.26 1.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.21 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.8 p -179.44 124.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -105.84 107.82 19.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.8 59.65 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 65.4 m 59.78 34.02 21.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.84 84.68 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.528 ' O ' HD12 ' A' ' 15' ' ' LEU . 3.2 pp -63.61 131.18 47.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.8 163.8 6.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.05 145.76 68.51 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.569 2.179 . . . . 0.0 112.282 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.19 132.72 53.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.165 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.04 -28.26 9.99 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.527 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.0 m -62.91 122.96 17.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 t -60.6 117.59 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 80.0 m -60.26 -31.49 70.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -168.58 99.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.608 ' O ' HG23 ' A' ' 25' ' ' THR . 13.6 ttp180 -91.62 167.64 12.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 24' ' ' ARG . 1.6 p -162.78 -77.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.41 -39.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.947 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 p -106.13 -31.23 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.4 p -108.13 154.39 21.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 t -159.43 132.35 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -143.22 130.73 21.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -110.73 148.63 31.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.52 172.22 8.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 t -100.08 -31.26 11.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.99 27.72 13.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -135.78 -46.22 0.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.968 0.413 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -136.17 166.32 23.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.826 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.1 m -72.35 -28.13 62.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -56.88 96.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.968 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.6 t -106.15 88.14 2.94 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.96 177.01 5.43 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.537 2.158 . . . . 0.0 112.343 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 p -97.05 61.99 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -106.99 78.99 0.63 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.95 179.87 3.49 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.618 2.212 . . . . 0.0 112.285 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.28 -144.23 11.57 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.535 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -106.46 32.84 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.769 0.318 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.522 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.872 0.368 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.1 ttt -150.55 79.77 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -70.87 163.66 26.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.7 t -177.17 -39.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.406 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 61.25 113.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.933 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.1 p -129.71 151.98 49.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.33 179.92 35.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.84 -26.14 19.33 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.639 2.226 . . . . 0.0 112.423 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -94.09 45.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 p -177.47 164.94 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -101.23 -169.43 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.65 89.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.026 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 63.08 58.15 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -176.5 118.74 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -81.51 137.57 35.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.598 ' HD3' HG21 ' A' ' 20' ' ' THR . 13.8 mttm -73.6 162.16 75.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.25 144.74 37.86 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.604 2.203 . . . . 0.0 112.369 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.49 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -60.47 126.03 25.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.9 33.62 5.73 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.522 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.598 HG21 ' HD3' ' A' ' 16' ' ' LYS . 70.0 m -99.18 115.67 29.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.22 114.21 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.8 p -118.08 -40.65 2.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -116.16 127.54 54.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -177.01 111.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 p -97.43 -36.55 10.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -178.32 -39.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -116.05 -36.32 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.131 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 t -64.03 89.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -97.33 78.21 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.416 ' CE1' ' HG3' ' A' ' 43' ' ' PRO . 1.5 m-70 -95.18 179.22 5.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 30' ' ' HIS . 46.9 m-85 -147.82 150.9 35.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.07 146.13 44.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 38' ' ' GLU . 53.5 p -60.28 -39.68 87.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.533 ' O ' HD12 ' A' ' 15' ' ' LEU . . . 96.57 -28.39 13.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.491 ' C ' HD13 ' A' ' 15' ' ' LEU . 10.8 ttp85 -114.69 -34.82 5.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.767 0.318 . . . . 0.0 110.984 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 m -111.0 172.69 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.001 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.406 ' SG ' HG22 ' A' ' 5' ' ' THR . 4.2 m -83.53 -24.59 31.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.666 ' O ' HG23 ' A' ' 33' ' ' THR . 3.7 mt-10 -56.46 131.48 48.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.051 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.412 ' CB ' ' CD ' ' A' ' 40' ' ' PRO . 1.3 m -72.82 -60.89 1.76 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 39' ' ' CYS . 57.3 Cg_endo -71.13 139.88 36.46 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.508 2.139 . . . . 0.0 112.361 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.562 ' OG ' HG22 ' A' ' 33' ' ' THR . 88.1 p -177.37 80.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 61.55 89.19 0.11 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HG3' ' CE1' ' A' ' 30' ' ' HIS . 58.4 Cg_exo -51.57 -26.83 23.5 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.556 2.17 . . . . 0.0 112.39 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.91 77.72 1.45 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -166.91 126.99 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.329 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.498 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.774 0.321 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.1 mmm -60.28 128.91 39.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.56 79.24 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 60.7 164.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.842 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.34 89.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.2 p -107.59 126.48 52.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.51 -176.08 38.04 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.78 -29.5 15.52 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.579 2.186 . . . . 0.0 112.372 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.5 t -98.37 31.04 2.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.8 p -173.38 109.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.37 135.26 52.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 60.26 41.28 16.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.8 t 61.19 35.66 18.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -135.06 100.66 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.32 138.06 56.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.63 142.97 97.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.43 145.84 44.4 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.482 2.121 . . . . 0.0 112.283 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.82 112.6 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.68 -28.17 1.31 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.27 173.58 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.814 0.34 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.6 OUTLIER -104.92 108.36 19.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -179.92 41.68 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.259 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.422 ' CD2' HG23 ' A' ' 33' ' ' THR . 81.9 t90 -177.23 122.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.166 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -126.32 149.49 49.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.754 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.89 -78.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.75 -42.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.0 m -71.79 -30.79 39.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.043 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.62 155.33 39.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.787 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -60.01 -79.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.65 ' O ' HG22 ' A' ' 21' ' ' THR . 70.8 t60 -158.43 72.95 0.63 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.627 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -122.54 129.95 52.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.06 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.11 129.41 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.422 HG23 ' CD2' ' A' ' 23' ' ' TRP . 15.8 p -63.15 -29.47 70.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.42 26.42 54.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.526 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -123.33 -41.29 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.372 . . . . 0.0 111.051 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 p -120.96 151.95 39.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.9 m -73.34 -21.47 60.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.72 133.68 47.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.844 0.354 . . . . 0.0 111.03 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.3 t -131.64 92.02 32.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -48.75 131.49 24.6 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.548 2.165 . . . . 0.0 112.36 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -31.85 68.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.77 108.74 1.28 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.066 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.41 -167.61 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.458 2.106 . . . . 0.0 112.381 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -139.09 -108.16 0.78 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 60.29 109.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.532 179.989 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.818 0.342 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.0 ttt -94.94 -31.63 13.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -163.94 37.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.4 t 61.89 152.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.595 HG21 ' OG ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -101.06 158.36 16.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.17 136.41 22.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.56 -162.0 34.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.07 -30.36 20.97 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.616 2.21 . . . . 0.0 112.293 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.12 36.28 1.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.34 162.95 14.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -170.41 106.41 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? 60.39 46.68 9.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 61.34 31.45 19.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.03 168.47 19.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.512 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -93.83 140.67 29.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -67.49 165.87 26.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.21 144.56 75.4 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.599 2.199 . . . . 0.0 112.275 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.75 113.5 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.061 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.4 24.86 4.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.615 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 21' ' ' THR . 11.0 m -94.5 164.43 12.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.414 ' N ' HG22 ' A' ' 20' ' ' THR . 0.6 OUTLIER -96.59 106.08 18.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.35 -68.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.443 ' CE3' ' CG2' ' A' ' 25' ' ' THR . 0.3 OUTLIER -110.89 179.14 4.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -148.76 108.83 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.443 ' CG2' ' CE3' ' A' ' 23' ' ' TRP . 28.4 p -131.66 -171.3 2.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.4 p -99.16 30.78 3.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.616 HG22 ' O ' ' A' ' 27' ' ' VAL . 14.8 p -177.78 38.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -177.31 146.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.1 p -111.0 -33.81 6.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 59.64 95.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -106.35 109.21 21.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.34 161.19 7.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 p -95.96 -41.73 8.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.0 28.11 7.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -110.62 -33.09 6.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.595 ' OG ' HG21 ' A' ' 5' ' ' THR . 3.0 t -148.19 172.04 14.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.1 m -72.65 -31.36 65.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -74.8 145.26 43.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.5 m -100.47 152.93 37.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.32 177.52 5.88 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.539 2.159 . . . . 0.0 112.282 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.4 p -121.55 34.92 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -136.8 85.88 22.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.24 151.7 16.69 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.539 2.159 . . . . 0.0 112.32 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.21 -158.98 21.86 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -95.84 -34.06 12.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.517 -179.987 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.772 0.32 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.5 mmt -73.83 148.08 42.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -103.79 179.53 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.3 m -92.76 103.24 15.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.585 HG21 ' H ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -60.75 154.03 22.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -136.23 135.77 39.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.69 178.04 33.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.479 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -78.92 56.11 5.86 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.687 2.258 . . . . 0.0 112.537 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -171.93 33.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.068 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -176.95 -175.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -108.41 -167.85 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -59.06 -30.84 68.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.3 m -160.26 40.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -158.22 120.2 3.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.561 HD11 ' CA ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -78.7 137.2 37.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -67.01 148.17 98.94 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.91 142.55 52.25 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.516 2.144 . . . . 0.0 112.294 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.33 101.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.84 -27.31 0.93 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.543 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.6 159.28 8.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.814 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -110.39 134.15 52.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.5 p -99.09 -40.91 7.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -133.13 114.85 14.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.52 99.33 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.7 p -74.84 -34.12 62.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.01 -39.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 28' ' ' SER . 11.2 p -123.38 -41.37 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.175 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.429 ' N ' HG13 ' A' ' 27' ' ' VAL . 13.6 m -60.8 157.09 15.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.941 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.409 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 10.0 p -176.6 103.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -70.61 -38.87 74.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.814 ' CE2' HG23 ' A' ' 21' ' ' THR . 32.1 m-85 60.76 157.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -117.62 126.84 53.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 p -64.51 -29.73 70.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.12 25.99 6.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -114.19 -35.87 4.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.561 ' CA ' HD11 ' A' ' 15' ' ' LEU . 24.4 t -147.55 162.92 38.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.585 ' H ' HG21 ' A' ' 5' ' ' THR . 1.8 t -71.91 -28.47 63.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.961 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.52 128.15 34.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.37 149.21 36.94 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.37 129.73 17.43 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.554 2.17 . . . . 0.0 112.328 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -67.81 -31.61 71.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.44 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -91.03 147.41 35.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 42' ' ' TYR . 56.2 Cg_endo -70.37 171.32 15.35 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.557 2.171 . . . . 0.0 112.307 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.49 95.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.519 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -146.77 -48.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.422 -1.21 . . . . 0.0 112.496 -179.983 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.84 0.352 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 9.7 ttt 60.41 83.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.72 179.13 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.704 ' O ' HG23 ' A' ' 5' ' ' THR . 6.3 p -111.26 -34.06 6.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.704 HG23 ' O ' ' A' ' 4' ' ' CYS . 0.6 OUTLIER -173.13 100.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.3 p -128.11 121.39 29.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.61 -173.56 37.17 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.546 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.95 -27.28 17.68 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.6 2.2 . . . . 0.0 112.416 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.2 t -98.33 32.59 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.3 p -177.0 138.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -149.32 140.51 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 60.84 42.21 13.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.4 t 61.28 37.49 17.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -148.49 124.48 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.587 HD23 ' H ' ' A' ' 15' ' ' LEU . 1.1 pt? -67.75 148.2 51.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -69.43 159.57 82.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.59 144.33 54.57 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.583 2.189 . . . . 0.0 112.286 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.04 98.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 150.2 -28.25 1.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.433 HG22 ' H ' ' A' ' 21' ' ' THR . 0.4 OUTLIER -63.12 172.31 1.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.919 -179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.85 HG22 ' O ' ' A' ' 30' ' ' HIS . 2.0 p -101.14 148.18 25.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.7 t -90.34 -70.59 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.647 ' CZ2' HG21 ' A' ' 25' ' ' THR . 1.8 t90 -93.22 91.81 7.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.7 tpp85 -81.9 77.48 8.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.647 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 0.6 OUTLIER -105.3 -16.52 14.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.18 179.957 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 t 75.06 31.87 0.81 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.895 0.379 . . . . 0.0 110.623 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 m -113.32 -32.85 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.49 -169.97 3.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.1 m -119.07 102.29 8.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.85 ' O ' HG22 ' A' ' 21' ' ' THR . 23.0 m170 -119.96 164.12 16.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -157.13 159.62 37.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -97.14 152.28 18.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.0 p -76.75 -47.93 20.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.68 25.17 4.68 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.584 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.7 mtm-85 -113.31 -34.85 5.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 t -155.12 172.36 18.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.5 t -72.07 -31.17 65.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.44 84.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.8 p -59.98 149.57 73.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.21 174.97 9.11 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.572 2.181 . . . . 0.0 112.313 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -117.39 31.83 6.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -117.55 150.13 46.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.19 63.04 2.04 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.546 2.164 . . . . 0.0 112.299 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.01 83.56 0.18 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -168.23 97.28 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.503 179.988 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.798 0.333 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 44.4 ttm 60.7 109.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -152.36 35.75 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.4 m 60.55 82.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.3 p -60.45 117.36 5.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 t -132.03 149.55 52.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.7 -149.18 14.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.534 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.2 -46.67 0.97 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.626 2.217 . . . . 0.0 112.42 -179.859 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.668 ' SG ' HD21 ' A' ' 15' ' ' LEU . 26.2 t -87.03 5.84 35.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.465 -179.889 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.9 m -125.7 165.46 18.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.816 0.341 . . . . 0.0 110.795 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 -87.64 -79.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.774 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -152.82 21.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 179.834 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.0 t 178.51 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -120.14 151.38 39.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.967 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 16' ' ' LYS . 4.5 tt -85.27 155.98 21.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.905 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.687 ' O ' HD23 ' A' ' 15' ' ' LEU . 17.8 mttt -72.75 162.8 72.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.01 143.26 41.17 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.488 2.125 . . . . 0.0 112.323 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.41 128.33 33.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.217 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.89 -25.18 7.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.847 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -58.36 154.84 12.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.349 . . . . 0.0 110.948 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -89.7 123.06 33.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.46 -43.65 96.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 26.2 t90 -158.71 79.86 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -60.69 136.06 57.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.4 p -156.2 -174.15 4.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.2 m -107.98 66.82 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 p -177.98 -38.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 t -165.53 167.04 17.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.26 150.18 48.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -106.53 -32.17 8.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.978 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 60.47 172.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 91.5 m -125.32 161.12 27.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -116.39 -39.11 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.69 32.11 5.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.5 mtt85 -123.71 -43.25 2.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.15 157.02 42.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.821 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.435 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -71.26 -25.88 62.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.24 86.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.807 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.8 m -58.8 147.8 70.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.26 177.26 6.81 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.57 2.18 . . . . 0.0 112.354 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p -134.68 31.63 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -136.66 87.53 20.62 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.53 114.21 3.59 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.586 2.191 . . . . 0.0 112.286 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.63 50.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -85.8 141.25 29.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.328 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.468 179.984 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.87 0.367 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 20.3 ttm 61.94 151.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.0 t0 68.19 -70.02 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 116.31 4.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.23 85.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.1 p -121.76 134.11 54.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.76 -168.84 40.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.616 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -57.38 -26.35 70.44 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.723 2.282 . . . . 0.0 112.531 -179.823 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.47 -49.81 5.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.917 0.389 . . . . 0.0 110.925 -179.885 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.9 m -66.94 154.39 41.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.804 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.5 -80.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 33.1 tt0 -112.6 -28.26 7.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.671 179.78 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 34.9 t 179.4 37.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -137.17 132.28 33.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.722 HD21 ' O ' ' A' ' 36' ' ' SER . 0.5 OUTLIER -82.3 117.87 22.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -58.33 155.22 28.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.41 145.06 63.88 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.572 2.181 . . . . 0.0 112.332 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.15 140.34 53.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.157 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.87 -28.32 16.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.0 m -63.63 150.86 43.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.704 HG21 ' NE ' ' A' ' 24' ' ' ARG . 10.8 p -80.4 111.13 16.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.4 t -60.29 -31.67 70.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -167.89 83.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.704 ' NE ' HG21 ' A' ' 21' ' ' THR . 21.9 ttm180 -107.63 112.56 25.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.7 p -98.23 -36.25 10.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -178.49 -39.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.53 -41.11 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.184 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.3 t -75.29 76.41 2.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.27 97.64 11.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -84.68 -178.34 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -143.27 126.37 16.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.55 150.23 48.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 p -76.24 -62.3 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.43 -27.66 7.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.35 -31.49 10.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.344 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.722 ' O ' HD21 ' A' ' 15' ' ' LEU . 5.2 p -126.91 172.46 10.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.8 t -106.51 18.91 21.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -87.52 130.87 34.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -129.47 87.85 51.96 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.16 177.66 4.95 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.585 2.19 . . . . 0.0 112.304 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.61 45.35 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -120.41 80.97 30.19 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.82 85.3 0.63 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.575 2.183 . . . . 0.0 112.313 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.67 30.69 69.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.475 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 64.18 -78.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.753 0.311 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.352 -1.249 . . . . 0.0 112.482 -179.999 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.822 0.344 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -175.05 2.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t70 60.56 163.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.8 t -65.35 -31.43 72.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.901 HG22 ' HB2' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 60.91 75.83 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.962 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.06 148.99 22.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.02 159.02 16.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.527 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.96 -26.42 40.26 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.668 2.246 . . . . 0.0 112.381 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.4 t -72.37 -59.59 2.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.3 m -59.18 152.91 19.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -98.11 -70.48 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -122.8 71.58 1.04 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.8 t 59.82 31.3 20.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -133.07 129.7 38.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.41 HD21 ' N ' ' A' ' 37' ' ' CYS . 10.7 mt -69.86 130.07 41.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -72.79 149.44 90.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.51 137.65 57.57 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.583 2.189 . . . . 0.0 112.331 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.05 90.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.084 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.95 -28.24 1.27 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 21' ' ' THR . 18.3 m -60.23 163.43 4.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.419 HG22 ' CD2' ' A' ' 31' ' ' TYR . 5.6 p -101.43 137.48 39.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.7 p -109.51 -40.43 4.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -97.33 128.31 44.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.698 ' O ' HG23 ' A' ' 25' ' ' THR . 10.2 ttt85 -135.13 116.46 14.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -168.19 -179.14 3.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.933 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.5 t -98.83 31.36 2.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -111.19 -32.94 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 t -176.72 -170.13 0.31 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 t -137.36 127.07 25.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -130.69 173.69 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.419 ' CD2' HG22 ' A' ' 21' ' ' THR . 80.7 m-85 -146.67 138.73 24.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.11 130.67 43.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.576 HG22 ' HA2' ' A' ' 46' ' ' GLY . 33.2 p -60.33 -37.3 80.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.57 -28.56 12.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -72.44 -31.64 65.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.838 0.351 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -136.98 166.13 24.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.901 ' HB2' HG22 ' A' ' 5' ' ' THR . 6.2 t -72.03 -30.53 65.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.7 162.6 6.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -128.32 88.31 52.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -69.07 163.92 35.87 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.558 2.172 . . . . 0.0 112.314 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.9 p -94.63 45.81 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -114.47 87.43 13.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.23 -176.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.57 2.18 . . . . 0.0 112.322 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.47 28.65 51.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 60.49 82.8 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.341 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.576 ' HA2' HG22 ' A' ' 33' ' ' THR . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.806 0.336 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 60.55 85.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -151.22 173.65 14.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.0 t 60.42 158.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.4 p -90.45 130.87 36.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.0 p -132.28 158.93 40.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.27 -178.61 40.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.05 -29.45 22.44 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.606 2.204 . . . . 0.0 112.32 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.2 t -74.57 -59.68 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.0 p -77.07 167.15 22.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.89 124.75 28.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 63.84 -79.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -160.33 76.34 0.6 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -170.2 100.04 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.57 120.3 10.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -66.86 151.42 96.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.24 142.57 45.74 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.58 2.187 . . . . 0.0 112.319 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.11 118.24 6.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.22 28.42 5.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.567 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.9 m -108.55 142.64 38.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 p -69.98 121.7 17.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.2 p -103.91 -43.38 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -106.47 122.14 45.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -156.26 90.36 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.4 t -86.27 -36.49 19.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.3 p -177.08 -40.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 p -119.52 -38.79 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.2 m -62.68 157.46 20.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.2 m -170.7 78.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.422 ' CD2' ' HG3' ' A' ' 43' ' ' PRO . 31.8 m170 -92.3 138.55 31.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -78.97 172.24 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -95.31 143.28 26.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.816 HG23 ' HD3' ' A' ' 40' ' ' PRO . 1.7 p -60.3 -41.09 92.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.03 -29.17 11.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -94.77 -32.94 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.7 t -133.82 168.76 18.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.9 m -72.21 -31.64 66.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -64.46 146.15 54.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 m -106.24 149.65 38.45 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.816 ' HD3' HG23 ' A' ' 33' ' ' THR . 56.2 Cg_endo -70.27 146.49 57.21 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.586 2.191 . . . . 0.0 112.338 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.2 t -88.05 -31.41 19.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -114.56 87.34 14.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.422 ' HG3' ' CD2' ' A' ' 30' ' ' HIS . 53.9 Cg_exo -52.14 134.6 50.55 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.578 2.185 . . . . 0.0 112.301 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.34 -173.36 2.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.525 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -60.6 152.26 26.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.492 -179.999 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.879 0.371 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.51 35.45 4.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -143.4 37.76 1.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -177.97 -38.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.856 HG22 ' HB2' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 64.96 109.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.977 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.1 p -131.77 128.57 39.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.793 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.48 -159.95 22.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.618 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -55.99 -62.63 0.23 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.703 2.269 . . . . 0.0 112.472 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.56 -80.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.8 p -50.68 127.02 17.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.49 -75.22 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.876 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -91.29 50.29 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.3 m 59.38 31.18 20.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -127.41 106.24 9.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 tp -59.93 118.61 6.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 149.39 97.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.26 144.4 39.24 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.53 2.154 . . . . 0.0 112.357 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 33' ' ' THR . . . -57.81 98.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.94 -27.79 0.4 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.9 156.41 14.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.57 154.33 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.46 -66.41 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -128.15 78.63 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -105.2 80.35 1.59 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 t -74.93 -35.54 62.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 p -178.45 -39.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 28' ' ' SER . 11.3 p -125.05 -41.89 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.217 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.437 ' N ' HG13 ' A' ' 27' ' ' VAL . 2.0 m -60.23 166.24 3.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 60.7 p -176.5 94.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -84.53 -31.76 24.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 29' ' ' SER . 52.3 m-85 60.62 171.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 m -129.75 127.86 41.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.435 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 4.5 t -71.51 -30.43 65.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.41 27.65 7.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -111.71 -33.86 6.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.0 t -160.51 162.26 32.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.856 ' HB2' HG22 ' A' ' 5' ' ' THR . 0.6 OUTLIER -72.05 -26.82 62.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.992 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.47 114.58 2.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.965 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.66 87.28 2.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.6 167.33 24.55 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.583 2.188 . . . . 0.0 112.317 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 t -85.69 57.14 4.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -148.53 71.25 10.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.68 -176.15 1.64 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.573 2.182 . . . . 0.0 112.259 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -105.14 148.22 16.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.527 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -98.58 138.78 35.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.489 -179.983 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.851 0.358 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 11.4 ttm -159.87 -61.83 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.8 -173.3 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 p -154.83 82.18 1.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.831 HG21 ' HB2' ' A' ' 15' ' ' LEU . 0.2 OUTLIER 60.41 107.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.87 150.07 30.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.76 -150.68 22.97 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.517 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.23 -45.39 0.88 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.646 2.231 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.03 39.44 1.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 91.9 m -128.16 178.8 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -150.31 -167.54 2.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -62.23 83.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 t 59.92 36.63 21.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.88 116.64 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.831 ' HB2' HG21 ' A' ' 5' ' ' THR . 4.6 tt -70.11 148.96 48.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.62 ' N ' HD23 ' A' ' 15' ' ' LEU . 29.8 mmtp -67.76 155.4 91.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.44 144.45 55.8 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.542 2.162 . . . . 0.0 112.296 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.501 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -58.82 134.92 57.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.59 -28.38 11.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.56 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.4 m -62.15 126.33 26.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -62.57 135.02 57.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.4 m -65.27 -53.84 38.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -102.7 -36.91 8.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.41 72.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.465 HG22 ' H ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -115.34 -173.85 2.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.465 ' H ' HG22 ' A' ' 25' ' ' THR . 26.3 t -64.05 -31.3 72.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 27' ' ' VAL . 11.5 p -160.12 50.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 m -146.88 36.17 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.837 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.3 m -71.22 118.91 14.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -98.33 -31.28 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 63.05 121.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.07 158.22 11.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.405 HG23 ' HG2' ' A' ' 35' ' ' ARG . 9.8 t -81.29 -41.3 22.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.501 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 98.59 40.38 3.42 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.539 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.405 ' HG2' HG23 ' A' ' 33' ' ' THR . 8.7 ptm180 -171.51 -41.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.965 0.412 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.51 ' C ' HD11 ' A' ' 15' ' ' LEU . 44.1 t -133.69 165.18 25.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -29.97 64.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.38 95.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.9 m -60.05 150.19 71.22 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.36 176.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.596 2.197 . . . . 0.0 112.295 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 m -109.54 -28.67 8.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -103.96 90.33 2.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.7 -27.18 32.26 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.561 2.174 . . . . 0.0 112.28 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.75 85.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.476 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 60.54 30.77 20.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.377 -1.235 . . . . 0.0 112.451 -179.932 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.775 0.321 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.9 ttt -60.23 -31.7 70.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -157.54 160.49 38.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.2 t -177.55 -39.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.853 HG21 HD12 ' A' ' 15' ' ' LEU . 0.5 OUTLIER 60.41 106.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m -124.84 148.82 48.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.65 -157.63 27.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.9 -31.86 19.09 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.52 2.147 . . . . 0.0 112.325 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.92 31.05 3.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.7 m -136.46 115.98 12.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -97.53 82.67 3.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 60.87 70.96 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 59.95 35.66 21.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -147.02 101.82 3.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.853 HD12 HG21 ' A' ' 5' ' ' THR . 0.8 OUTLIER -62.59 143.85 56.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -79.35 151.25 74.9 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.03 143.54 40.34 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.594 2.196 . . . . 0.0 112.348 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 126.2 26.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.92 28.53 9.96 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.8 m -105.4 144.22 32.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.41 120.39 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.0 m -69.81 -52.07 28.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -130.74 97.88 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -88.02 130.28 35.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.2 p -149.95 -78.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.0 t -177.63 -39.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -87.18 -31.41 5.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.09 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.0 m -137.41 176.57 8.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.41 -44.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.0 m170 60.4 -177.41 0.1 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -146.75 120.39 9.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.81 169.29 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 t -99.94 -36.34 9.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.78 -29.07 11.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.449 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.7 mmm-85 -73.36 -32.88 64.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.411 ' C ' HD11 ' A' ' 15' ' ' LEU . 73.2 p -144.55 166.76 24.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.11 -30.43 65.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.28 117.92 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.3 t -85.92 136.87 35.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -52.08 141.03 48.98 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.437 2.091 . . . . 0.0 112.351 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.57 36.07 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.427 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -127.09 147.58 62.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 42' ' ' TYR . 56.0 Cg_endo -70.35 170.67 16.71 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.496 2.13 . . . . 0.0 112.297 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.26 159.36 27.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -61.08 131.52 50.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.487 179.945 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.821 0.343 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.9 mtt -142.01 80.02 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -176.53 125.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.2 p -164.72 170.4 15.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.642 HG21 HD12 ' A' ' 15' ' ' LEU . 4.2 p -59.77 120.92 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m -128.45 148.92 50.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.86 -169.41 25.63 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.493 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.32 -34.95 72.8 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.59 2.193 . . . . 0.0 112.352 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.16 28.91 3.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.007 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.9 m -147.38 130.97 16.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -108.96 111.27 22.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.797 179.935 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 64.15 -79.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.4 t -147.16 36.9 0.93 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -143.72 141.16 30.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.642 HD12 HG21 ' A' ' 5' ' ' THR . 0.8 OUTLIER -88.1 138.35 31.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' N ' HD23 ' A' ' 15' ' ' LEU . 20.4 mmtt -60.32 155.07 49.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.39 144.39 55.82 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.545 2.163 . . . . 0.0 112.331 179.956 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.71 137.38 57.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.0 -28.22 14.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.2 m -60.06 133.14 55.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.954 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.6 p -78.68 133.37 37.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.17 -31.64 72.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -168.45 127.76 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.4 ttt-85 -134.57 100.55 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.05 -33.12 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -176.44 -77.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.59 -32.34 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.119 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.27 79.63 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.7 m -104.89 114.39 28.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -97.08 169.54 9.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -137.87 112.44 8.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.5 t -60.11 131.98 52.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.07 -40.91 91.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.5 -28.04 14.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.8 mtt85 -92.01 -32.1 15.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.5 m -133.36 157.38 45.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.24 -25.66 61.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -57.28 130.47 46.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.047 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -110.97 89.28 9.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -68.89 145.87 63.65 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.56 2.173 . . . . 0.0 112.24 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.28 57.27 4.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -128.14 79.03 74.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.16 -178.23 2.39 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.569 2.179 . . . . 0.0 112.31 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 173.05 118.66 0.5 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -130.87 173.55 10.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.493 -179.978 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.84 0.352 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.1 mtt 60.56 94.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -144.52 131.05 19.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.86 -33.98 45.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.704 ' O ' HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER 59.8 162.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.963 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.704 HG23 ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -169.79 143.86 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.998 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.7 -173.96 38.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.592 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.24 -22.36 22.25 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.628 2.218 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.3 t -95.66 40.08 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.056 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.9 p -177.44 169.12 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.76 160.55 34.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 60.44 30.57 19.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.64 35.43 22.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -145.52 124.53 12.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.486 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -59.39 129.89 44.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.625 ' HE2' HG21 ' A' ' 20' ' ' THR . 13.2 mttt -59.89 162.03 10.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.23 145.91 61.71 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.535 2.157 . . . . 0.0 112.307 179.928 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.61 91.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.183 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.1 -29.15 0.25 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.625 HG21 ' HE2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -63.18 172.25 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.851 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.482 ' O ' HG23 ' A' ' 21' ' ' THR . 10.2 t -127.72 114.88 17.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.0 p -59.09 -21.3 58.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.494 ' CD1' HG22 ' A' ' 25' ' ' THR . 1.1 t-105 66.71 91.65 0.08 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.423 ' HG3' ' CD2' ' A' ' 30' ' ' HIS . 4.0 mmt85 -76.84 -29.07 55.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.029 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.494 HG22 ' CD1' ' A' ' 23' ' ' TRP . 9.2 p 55.69 28.02 11.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.059 -179.896 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.7 t -126.95 -49.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.798 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.9 m -136.34 10.31 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.659 179.878 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.65 176.1 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.84 0.352 . . . . 0.0 110.954 179.81 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 26.2 m 58.35 89.89 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.016 179.92 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.423 ' CD2' ' HG3' ' A' ' 24' ' ' ARG . 43.1 m-70 -161.41 104.14 1.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -123.55 172.34 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 29.8 m -117.06 154.39 31.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.6 p -105.93 29.48 6.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 57.68 27.68 59.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.618 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.71 -33.06 11.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.832 0.349 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -176.81 172.64 2.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.5 m -71.67 -29.87 65.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -66.44 102.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 147.78 79.93 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.79 172.13 14.24 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.528 2.152 . . . . 0.0 112.264 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m -100.54 31.5 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.436 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -145.74 146.55 29.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 42' ' ' TYR . 56.9 Cg_endo -70.79 -26.96 22.17 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.527 2.152 . . . . 0.0 112.315 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.21 -139.88 14.73 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.481 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -86.95 151.48 23.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.339 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.489 -179.983 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.83 0.348 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -77.79 -64.82 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -167.18 88.05 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.404 ' CB ' ' HA ' ' A' ' 13' ' ' CYS . 17.6 m -61.14 -169.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.1 94.9 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.853 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.88 141.45 30.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.32 -172.63 41.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.07 -21.83 20.11 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.612 2.208 . . . . 0.0 112.591 -179.907 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -95.54 21.84 7.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.298 -179.899 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.1 m -146.45 171.31 15.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.881 0.372 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -100.29 -78.77 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.699 179.861 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.429 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -138.55 6.43 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.621 179.964 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 41.8 t 176.38 -33.11 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.775 0.322 . . . . 0.0 111.116 179.884 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.63 130.2 54.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.718 -179.854 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.553 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.0 pp -79.55 156.54 27.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 -179.886 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.553 ' O ' HD12 ' A' ' 15' ' ' LEU . 29.9 mttt -77.64 152.15 80.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -51.79 145.03 32.77 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.611 2.207 . . . . 0.0 112.304 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.563 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -58.49 115.68 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.42 -27.59 2.97 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.72 150.59 27.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -70.98 137.91 49.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.53 -31.68 14.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -157.77 116.09 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.69 132.35 44.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 t -176.45 161.74 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -88.27 54.52 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -151.92 -45.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.185 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.6 m -152.81 176.67 11.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 p -151.06 112.7 4.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -106.93 106.85 17.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -73.9 152.3 40.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.9 t -79.48 166.64 21.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.4 t -104.12 -44.62 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.563 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 105.14 -28.8 13.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.544 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.0 ptt180 -72.3 -31.53 65.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.08 170.69 21.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -31.03 65.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -59.73 114.49 2.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 m -92.17 166.49 17.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.06 151.44 16.47 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.597 2.198 . . . . 0.0 112.317 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.4 t -87.54 -32.76 19.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -94.35 149.65 37.02 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.19 -168.16 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.551 2.168 . . . . 0.0 112.314 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -143.58 60.35 0.52 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -60.99 -71.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.423 -1.209 . . . . 0.0 112.529 179.968 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.764 0.316 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.18 140.78 58.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -73.05 -74.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.9 t -78.33 156.31 29.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.5 95.9 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.16 148.84 50.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.11 -153.01 24.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.536 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.5 -34.1 9.9 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.569 2.179 . . . . 0.0 112.37 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.3 t -98.38 30.5 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.0 m -134.31 129.38 35.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.15 -70.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -123.09 71.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.96 33.75 21.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.82 172.16 13.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.658 HD11 ' N ' ' A' ' 36' ' ' SER . 1.7 tt -100.6 126.8 47.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' N ' HD23 ' A' ' 15' ' ' LEU . 19.8 mttt -64.15 160.06 51.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 144.11 53.45 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.633 2.222 . . . . 0.0 112.282 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 33' ' ' THR . . . -59.25 106.54 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.939 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.5 -28.88 2.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.526 -179.949 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.3 m -72.9 144.63 47.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.803 0.335 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.496 HG21 ' HB3' ' A' ' 28' ' ' SER . 61.4 p -59.3 157.22 11.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.1 t -85.68 -27.13 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.044 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.407 ' O ' ' CG ' ' A' ' 23' ' ' TRP . 0.9 OUTLIER -154.42 122.46 5.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.889 179.854 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.503 ' O ' HG23 ' A' ' 25' ' ' THR . 0.0 OUTLIER -67.5 146.36 54.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.993 -179.952 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 24' ' ' ARG . 19.8 p -159.61 -44.94 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 p -176.99 -39.22 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 28' ' ' SER . 11.4 p -153.49 -44.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.21 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.496 ' HB3' HG21 ' A' ' 21' ' ' THR . 43.2 t 60.58 165.48 0.07 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -162.33 38.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -112.96 -56.96 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 62.64 147.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -90.9 170.67 9.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.501 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 62.7 p -103.61 -31.24 10.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.02 27.68 6.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.543 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.16 -32.88 6.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.658 ' N ' HD11 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -165.92 172.45 11.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -31.34 66.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -67.56 98.42 0.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.3 p -80.3 149.66 69.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.26 177.25 6.12 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.632 2.221 . . . . 0.0 112.304 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.18 -31.86 9.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -58.93 109.58 1.99 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.47 -171.86 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.439 2.093 . . . . 0.0 112.321 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.23 35.98 4.69 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.448 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.8 t30 68.46 -68.23 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.789 0.328 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.483 179.987 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.837 0.351 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.0 mmt -145.67 -68.04 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.42 141.4 56.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.5 p -89.94 80.47 6.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.56 82.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.2 p -136.28 141.99 43.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.72 -154.97 16.36 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.518 179.954 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.92 -28.36 24.6 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.589 2.192 . . . . 0.0 112.321 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.07 -56.93 3.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.9 m -59.8 147.31 38.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.85 -74.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -120.89 71.54 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.5 t 60.77 31.15 20.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -134.69 139.04 44.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.615 HD11 ' C ' ' A' ' 36' ' ' SER . 6.7 tp -79.84 131.68 35.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -63.66 149.36 92.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.31 144.07 40.91 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.59 2.193 . . . . 0.0 112.307 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.02 87.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.88 -28.17 1.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.546 -179.95 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 21' ' ' THR . 0.2 OUTLIER -60.22 172.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.319 . . . . 0.0 110.92 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.482 HG22 ' CD2' ' A' ' 31' ' ' TYR . 67.4 p -100.5 175.22 5.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.3 p -128.14 -45.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -135.03 79.24 1.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 ttp-105 -100.24 112.65 24.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.13 31.18 3.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.0 m 59.98 64.37 1.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 p -178.65 -38.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -133.01 168.88 17.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.0 m -160.79 82.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 65.5 m170 -73.61 -31.37 63.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.482 ' CD2' HG22 ' A' ' 21' ' ' THR . 9.0 m-85 61.1 155.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -113.11 125.54 54.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.3 p -71.59 -30.87 66.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.81 27.13 7.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.531 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -111.77 -33.84 6.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.615 ' C ' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -154.76 170.49 21.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.933 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.25 -31.53 65.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -66.08 119.29 11.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 149.42 67.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.05 177.4 5.82 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.554 2.169 . . . . 0.0 112.302 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.1 m -125.32 35.33 4.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -163.72 86.31 1.25 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.16 101.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.565 2.177 . . . . 0.0 112.333 179.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 142.62 45.56 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.538 -180.0 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -79.17 -64.78 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.332 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.387 -1.23 . . . . 0.0 112.506 179.958 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.844 0.354 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 6.8 mtt 60.45 80.97 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -104.66 158.94 16.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.6 m -105.26 -31.27 9.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 60.8 87.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.6 p -86.42 158.8 19.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.9 -172.34 32.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.544 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.26 -14.14 28.38 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.623 2.215 . . . . 0.0 112.654 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -96.83 30.22 2.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.792 0.33 . . . . 0.0 111.057 -179.949 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.2 p -175.81 171.28 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -127.85 -75.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -117.66 73.89 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.0 t 59.82 31.01 20.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -148.61 99.49 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 pp -60.1 147.89 37.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -74.34 158.21 85.59 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -51.97 144.47 36.35 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.573 2.182 . . . . 0.0 112.343 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.78 103.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.14 -27.33 1.41 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.59 130.74 48.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.849 0.356 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.29 161.03 7.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.1 t -106.63 -55.85 2.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.567 ' CD2' HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER -104.46 -33.79 8.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.961 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.2 ptp85 45.05 40.04 4.29 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.371 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.567 HG21 ' CD2' ' A' ' 23' ' ' TRP . 66.4 p -95.22 169.58 9.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.1 m -85.41 57.35 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -178.5 -38.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 m -130.93 108.85 10.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 t -95.85 79.64 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -79.81 146.44 32.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -131.31 150.68 52.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 t -72.67 172.29 10.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.7 p -109.99 -54.44 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.95 55.55 0.34 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -177.38 -39.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.0 p -122.73 172.47 8.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.8 t -123.71 30.09 6.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -111.39 91.92 3.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.69 110.04 2.32 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.37 176.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.431 2.088 . . . . 0.0 112.314 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.4 m -96.34 -31.61 12.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -78.71 150.68 76.15 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.93 -169.96 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.571 2.181 . . . . 0.0 112.327 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.64 132.47 1.85 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 60.51 109.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.495 -179.972 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.821 0.343 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.67 155.37 47.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 180.0 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -106.31 117.68 34.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -60.2 -169.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.16 92.43 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.3 p -137.61 159.22 42.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.49 -154.72 24.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.521 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.02 -34.88 12.89 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.566 2.177 . . . . 0.0 112.348 179.966 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.8 t -108.74 34.78 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -156.23 165.51 36.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -174.94 126.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 60.87 42.17 13.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.0 m 60.52 36.57 19.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -136.98 139.25 41.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.789 HD11 ' N ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -91.63 136.84 32.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -75.52 152.05 85.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.18 143.49 41.96 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.559 2.173 . . . . 0.0 112.306 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.97 140.99 56.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.74 -28.48 15.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.9 m -60.64 128.83 38.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.506 HG22 ' HB3' ' A' ' 29' ' ' SER . 11.9 p -60.24 153.98 21.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 p -131.82 35.15 3.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -164.66 -69.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 59.81 89.81 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.89 -44.38 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -165.09 -43.2 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 28' ' ' SER . 11.3 p -155.47 -44.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.204 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.473 ' N ' HG13 ' A' ' 27' ' ' VAL . 24.5 m -60.34 97.25 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.506 ' HB3' HG22 ' A' ' 21' ' ' THR . 57.8 m -86.23 108.76 18.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -60.7 -31.21 70.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 29' ' ' SER . 23.5 m-85 61.24 154.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.7 t -109.31 151.03 27.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.61 HG23 ' HD3' ' A' ' 40' ' ' PRO . 63.2 p -62.69 -60.43 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 134.56 -27.38 3.23 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.531 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -124.99 30.75 5.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.758 0.313 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.789 ' N ' HD11 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -158.04 144.42 17.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.838 179.984 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 74.5 m -72.96 -18.8 61.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.044 179.941 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -102.09 161.81 13.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.874 0.369 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.2 m -116.41 151.57 47.08 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.61 ' HD3' HG23 ' A' ' 33' ' ' THR . 56.9 Cg_endo -70.69 171.66 15.05 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.547 2.165 . . . . 0.0 112.362 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.8 m -98.72 31.39 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -137.57 87.68 17.32 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_exo -51.89 -26.96 26.07 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.54 2.16 . . . . 0.0 112.319 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.4 161.69 23.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -106.6 -31.19 8.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.554 -179.964 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.832 0.348 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.29 93.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -133.61 31.6 3.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -154.78 -169.71 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.7 p -130.66 116.71 18.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -129.89 136.49 49.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.65 -169.12 36.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.67 -25.44 20.66 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.565 2.177 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.9 29.46 3.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.043 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.1 p -177.2 121.6 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -115.65 134.12 55.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 60.74 40.05 16.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 m 61.24 31.98 19.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.63 115.67 21.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.542 HD21 ' HA ' ' A' ' 36' ' ' SER . 1.0 OUTLIER -60.14 141.83 55.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.77 ' HD2' HG21 ' A' ' 20' ' ' THR . 3.8 mttt -86.37 157.97 55.39 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.0 143.36 72.11 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.559 2.173 . . . . 0.0 112.291 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.38 111.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.73 25.25 4.33 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.605 179.998 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.77 HG21 ' HD2' ' A' ' 16' ' ' LYS . 21.5 m -93.02 163.29 13.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.422 ' N ' HG22 ' A' ' 20' ' ' THR . 1.0 OUTLIER -74.09 105.44 5.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.944 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.5 t -60.02 -66.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -148.12 104.48 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.36 96.68 5.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.2 p -100.69 -37.62 8.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.3 t -178.79 -39.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.75 -36.25 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.178 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 t -62.0 154.18 27.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 p -176.66 79.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -107.25 -176.91 3.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -136.85 149.61 47.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.8 135.43 34.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 35' ' ' ARG . 8.8 t -74.31 -41.5 61.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.97 179.956 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.89 26.01 5.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.545 179.928 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.407 ' H ' HG23 ' A' ' 33' ' ' THR . 0.4 OUTLIER -112.59 -34.5 5.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 179.972 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.542 ' HA ' HD21 ' A' ' 15' ' ' LEU . 13.1 t -160.58 171.0 19.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.976 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -31.16 65.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.37 104.84 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.55 146.3 80.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.74 176.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.516 2.144 . . . . 0.0 112.325 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.66 -31.59 7.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -84.27 153.98 62.87 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.41 62.81 2.15 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.571 2.181 . . . . 0.0 112.316 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.6 80.83 0.12 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.526 -179.983 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -176.46 154.87 1.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.45 179.939 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.82 0.343 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.9 mtt -128.9 162.39 27.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -60.14 -51.09 71.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m 64.13 -76.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.057 179.967 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.91 131.7 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.7 p -124.72 146.8 48.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.65 179.71 48.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.51 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.06 63.04 1.96 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.598 2.199 . . . . 0.0 112.32 179.989 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.2 t -166.23 -65.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.0 p -69.85 177.18 3.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.7 mmt-85 -137.84 96.72 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 60.82 69.4 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.7 t 57.87 65.16 1.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.22 80.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 mt -58.02 111.46 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.896 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 mmtm -67.26 148.84 98.69 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.18 143.16 43.19 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.568 2.178 . . . . 0.0 112.352 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.47 98.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.76 -28.28 0.75 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.5 m -60.05 136.31 57.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.326 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.404 HG22 ' CE2' ' A' ' 31' ' ' TYR . 68.8 p -75.58 125.85 29.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.22 -40.19 89.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.696 ' NE1' HG23 ' A' ' 25' ' ' THR . 23.5 t-105 60.35 98.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -62.62 -27.72 69.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.91 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.696 HG23 ' NE1' ' A' ' 23' ' ' TRP . 0.2 OUTLIER 64.75 39.88 6.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 179.977 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.4 p -144.74 -49.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 179.922 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 27' ' ' VAL . 14.5 p -178.72 37.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.051 179.943 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' ' CZ3' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -177.87 177.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.966 179.955 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.1 t -145.88 126.65 14.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -103.61 -177.32 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.404 ' CE2' HG22 ' A' ' 21' ' ' THR . 35.5 m-85 -130.07 130.37 44.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.7 149.21 49.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.05 -63.19 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.69 -28.62 2.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -84.15 -33.69 24.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.949 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -144.84 158.67 43.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 81.9 m -72.0 -26.43 62.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -67.37 111.54 4.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.03 153.23 96.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.53 175.33 8.05 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.552 2.168 . . . . 0.0 112.296 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 t -77.88 -32.84 52.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -89.52 150.16 43.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.33 -27.03 24.25 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.548 2.165 . . . . 0.0 112.368 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.55 143.11 10.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.983 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -135.35 35.22 2.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.796 0.331 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.503 179.994 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.842 0.353 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.3 ttt -132.42 104.19 6.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -132.71 169.6 16.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.1 p -161.41 -173.79 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 t -75.08 163.68 27.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -177.25 154.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.43 -156.49 27.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 -179.931 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.96 -37.08 1.71 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.662 2.241 . . . . 0.0 112.551 -179.829 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.6 t -84.66 56.88 4.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.042 -179.808 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 p 176.24 169.33 0.44 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.867 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -122.5 85.47 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.826 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 60.59 72.43 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.4 t 61.53 69.99 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.81 -179.903 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -177.83 98.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.497 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -57.92 133.97 55.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.029 179.985 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -73.51 154.38 89.75 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.36 144.05 41.49 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.576 2.184 . . . . 0.0 112.303 179.95 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.84 113.78 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.62 -27.8 3.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -59.89 164.19 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.879 HG22 ' O ' ' A' ' 30' ' ' HIS . 1.2 p -105.28 151.83 23.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.7 m -90.34 -74.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.496 ' CH2' HG21 ' A' ' 25' ' ' THR . 12.1 t90 -102.7 150.35 23.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -155.06 84.83 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.496 HG21 ' CH2' ' A' ' 23' ' ' TRP . 3.4 t -97.92 -38.4 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.6 t -179.2 -39.47 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -121.96 -40.18 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.153 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.426 ' HB2' ' CE3' ' A' ' 23' ' ' TRP . 22.4 m -79.29 100.29 7.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.1 p -97.5 -34.39 11.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.879 ' O ' HG22 ' A' ' 21' ' ' THR . 5.1 m170 59.39 162.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 30' ' ' HIS . 45.6 m-85 -150.55 102.93 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.27 172.19 1.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.7 t -109.45 -31.23 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.47 26.84 8.98 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.57 -179.955 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -112.43 -34.27 5.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.82 172.25 18.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.4 m -72.3 -29.73 64.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -59.29 102.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 80.7 m -59.64 148.86 73.62 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.61 177.5 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.527 2.152 . . . . 0.0 112.292 -179.95 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.401 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 5.8 p -124.93 31.49 5.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.401 ' CG ' ' O ' ' A' ' 41' ' ' SER . 6.4 m-85 -170.81 87.39 0.5 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.436 ' HG3' ' CD2' ' A' ' 30' ' ' HIS . 54.4 Cg_exo -51.89 -27.15 26.69 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.577 2.184 . . . . 0.0 112.38 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.97 137.0 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -106.54 -55.11 2.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.844 0.354 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.429 -1.206 . . . . 0.0 112.518 179.99 . . . . . . . . 0 0 . 1 stop_ save_