data_5l1c_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 5l1c _Structure_validation_residue.Date_analyzed 2017-08-04 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 ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.821 0.343 . . . . 74.14 110.895 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.5 t -80.67 -35.73 33.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 75.25 110.849 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.3 ptm -161.6 154.72 17.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 74.12 110.871 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 128.14 15.61 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.701 2.267 . . . . 72.3 112.338 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.57 169.63 8.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.871 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -145.43 111.06 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 73.55 110.872 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.5 p -59.38 -35.53 74.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 73.14 111.125 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -72.5 -22.94 60.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 74.13 111.125 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -89.1 132.82 34.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 61.42 110.864 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -94.15 -35.66 12.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.85 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -81.31 -15.23 56.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 74.14 110.907 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.7 tpt -63.58 -41.03 98.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 73.4 110.895 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.7 -35.37 42.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 65.44 111.134 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.9 ttp85 -52.06 -50.7 61.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 73.14 110.869 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -69.1 -40.96 78.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 65.25 110.845 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.8 t -50.38 -40.54 49.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 65.44 110.881 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -74.92 -36.58 62.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.825 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -63.05 -50.17 71.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 73.15 110.906 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 t -53.86 -35.19 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 74.32 110.898 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.9 m -70.94 -27.32 63.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 71.44 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.03 -71.84 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 71.21 112.472 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.74 172.44 30.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 73.32 112.448 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -52.06 118.83 3.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 72.33 110.945 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.71 -20.5 41.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 75.05 112.449 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.6 mtt-85 -93.03 119.77 32.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.39 . . . . 73.24 110.847 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.77 -179.94 18.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 64.11 112.49 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -157.37 151.88 25.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 74.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.2 t -105.07 108.93 20.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 65.11 110.856 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -125.92 107.37 10.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 74.01 110.91 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.79 -157.46 47.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 75.55 112.483 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -20.13 35.09 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 73.33 112.368 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -110.73 148.66 31.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.96 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.3 t -89.16 118.93 29.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 63.41 110.858 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.5 mt -106.35 118.98 38.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.467 . . . . 72.45 110.9 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.3 m -77.73 122.11 24.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 72.33 110.842 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 65.3 110.902 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 ptm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.846 0.355 . . . . 74.14 110.85 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.2 t -52.04 -35.94 48.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 75.25 110.856 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.6 ptm -161.81 154.83 17.35 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.578 0.704 . . . . 74.12 110.831 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 128.2 15.67 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 72.3 112.305 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.01 169.92 8.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 74.2 110.822 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -145.53 142.31 29.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.55 110.862 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.9 p -85.9 -36.11 20.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 73.14 111.165 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -75.4 -23.03 57.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 74.13 111.037 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.06 131.62 34.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 61.42 110.902 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -94.01 -36.05 12.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 74.25 110.901 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -81.36 -15.23 55.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.14 110.911 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.0 tpt -63.91 -40.53 96.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.4 110.911 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.76 -38.82 57.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 65.44 111.133 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -55.96 24.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 73.14 110.885 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -59.27 -42.39 91.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 65.25 110.833 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.0 t -50.76 -44.97 58.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 65.44 110.858 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -71.61 -36.86 70.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.865 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.37 -50.65 70.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 73.15 110.853 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.6 t -53.89 -35.87 62.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.939 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.1 m -67.92 -27.43 66.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 71.44 110.857 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.67 -65.68 0.2 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 71.21 112.494 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.71 -162.84 10.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 73.32 112.481 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -76.5 116.99 17.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.352 . . . . 72.33 110.916 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.57 -20.45 41.91 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.835 -0.698 . . . . 75.05 112.529 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.9 mtt-85 -88.3 119.89 29.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.839 0.352 . . . . 73.24 110.867 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.01 -178.48 17.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.792 -0.718 . . . . 64.11 112.455 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.34 153.49 27.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.866 0.365 . . . . 74.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.5 t -105.28 108.89 20.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 65.11 110.859 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -127.76 108.29 10.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 74.01 110.912 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.23 -158.36 49.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.657 -0.782 . . . . 75.55 112.531 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.59 -19.86 36.38 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.715 2.276 . . . . 73.33 112.408 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -110.31 151.08 27.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 72.22 110.988 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.7 t -90.95 118.13 30.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 63.41 110.855 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.5 mt -103.98 121.78 43.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 72.45 110.95 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.2 m -85.58 128.49 34.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 72.33 110.872 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 65.3 110.876 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.816 0.341 . . . . 74.14 110.892 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.5 t -65.65 -35.42 80.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 75.25 110.876 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.3 ptm -162.67 154.82 15.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.587 0.708 . . . . 74.12 110.86 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 128.25 15.74 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.649 2.233 . . . . 72.3 112.32 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.89 169.63 8.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.2 110.908 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -145.51 128.25 16.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 73.55 110.87 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.2 p -73.86 -35.59 64.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 73.14 111.155 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -73.57 -22.93 59.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 74.13 111.089 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -88.0 132.33 34.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 61.42 110.856 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -94.15 -35.28 12.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.855 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -81.26 -15.24 56.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.863 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.7 tpt -64.07 -40.24 95.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.956 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.18 -35.46 49.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 65.44 111.134 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.81 -56.58 17.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.931 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -60.77 -41.77 96.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 65.25 110.898 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.0 t -50.49 -41.66 53.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 65.44 110.9 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -73.83 -36.42 64.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.866 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.71 -50.6 70.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 73.15 110.837 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 t -53.9 -35.26 61.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 74.32 110.889 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.2 m -70.28 -27.41 64.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 71.44 110.899 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.1 -71.87 0.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 71.21 112.466 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.74 172.18 30.46 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 73.32 112.498 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -51.79 118.9 3.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.332 . . . . 72.33 110.865 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.59 -20.51 41.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 75.05 112.524 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -92.83 119.58 32.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 73.24 110.887 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.9 179.92 18.09 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.752 -0.737 . . . . 64.11 112.457 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -157.34 152.16 25.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.368 . . . . 74.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.3 t -104.35 108.75 20.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 65.11 110.854 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -125.8 107.13 10.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 74.01 111.016 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.43 -157.47 47.93 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.792 -0.718 . . . . 75.55 112.542 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 -19.91 35.48 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.729 2.286 . . . . 73.33 112.343 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -110.59 150.03 29.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 72.22 110.903 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.9 t -90.45 119.56 30.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 63.41 110.83 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 mt -107.64 120.44 42.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 72.45 110.887 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 28.7 m -80.42 152.02 29.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 72.33 110.86 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 65.3 110.894 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 ptm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.854 0.359 . . . . 74.14 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.2 t -52.58 -35.85 54.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 75.25 110.847 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.6 ptm -162.32 154.66 16.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.644 0.735 . . . . 74.12 110.82 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 128.17 15.65 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.723 2.282 . . . . 72.3 112.322 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.39 170.49 8.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 74.2 110.855 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -145.56 123.07 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 73.55 110.851 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.0 p -71.06 -35.72 72.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 73.14 111.124 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -74.1 -22.91 59.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.214 -0.448 . . . . 74.13 111.157 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -89.24 132.82 34.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 61.42 110.873 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -94.17 -35.49 12.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.821 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -81.3 -15.2 56.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 74.14 110.902 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.3 tpt -63.37 -41.66 98.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 73.4 110.835 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.78 -35.23 61.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 65.44 111.077 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -46.1 64.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.938 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -74.51 -39.63 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 65.25 110.948 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 t -50.55 -44.16 56.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 65.44 110.843 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -72.6 -36.34 68.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.83 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -62.6 -50.92 69.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 73.15 110.897 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.7 t -54.03 -35.12 61.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.887 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 92.8 m -69.77 -27.4 64.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 71.44 110.885 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.94 -71.53 0.19 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 71.21 112.464 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.75 172.12 30.48 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 73.32 112.53 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -52.05 118.86 3.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.34 . . . . 72.33 110.909 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.57 -20.44 41.94 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.709 -0.758 . . . . 75.05 112.449 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -92.25 119.08 31.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 73.24 110.858 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.11 169.44 17.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 64.11 112.456 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -144.24 157.81 44.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 74.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.4 t -110.25 108.81 19.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 65.11 110.868 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -130.28 106.8 8.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 74.01 110.98 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.05 -160.86 41.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 75.55 112.486 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -19.06 36.5 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.735 2.29 . . . . 73.33 112.343 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -111.95 149.56 31.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 72.22 110.892 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.1 t -88.19 123.7 33.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 63.41 110.856 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.8 mt -109.24 120.4 42.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 72.45 110.931 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.7 m -82.56 152.03 26.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 72.33 110.872 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 65.3 110.9 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.834 0.349 . . . . 74.14 110.833 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.5 t -74.67 -35.49 62.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 75.25 110.922 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.1 ptm -161.66 154.37 17.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.525 0.679 . . . . 74.12 110.927 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 128.18 15.75 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.709 2.273 . . . . 72.3 112.33 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.75 169.63 8.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.2 110.891 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -145.43 132.92 20.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 73.55 110.846 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 59.3 p -77.02 -35.77 56.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 73.14 111.129 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.0 t -72.68 -22.98 60.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 74.13 111.152 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.14 131.61 35.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 61.42 110.822 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -94.24 -34.95 12.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 74.25 110.841 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -81.24 -15.14 56.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 74.14 110.97 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.6 tpt -61.49 -41.82 97.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.901 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.21 -35.86 50.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 65.44 111.097 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.21 -50.05 62.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 73.14 110.912 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -68.93 -41.43 78.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 65.25 110.955 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.2 t -50.4 -36.09 31.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 65.44 110.885 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -78.2 -36.04 47.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 74.33 110.957 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -63.98 -49.95 70.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 73.15 110.911 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 t -53.82 -34.93 60.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 74.32 110.876 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 96.9 m -71.63 -27.46 63.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 71.44 110.876 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.6 -71.41 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 71.21 112.477 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.72 171.82 30.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.809 -0.71 . . . . 73.32 112.514 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 118.86 3.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.807 0.337 . . . . 72.33 110.909 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.5 -20.42 42.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.682 -0.77 . . . . 75.05 112.478 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -92.08 119.32 31.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 73.24 110.858 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.28 -179.75 19.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.796 -0.716 . . . . 64.11 112.555 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.31 152.43 25.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 74.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 46.0 t -104.5 108.65 20.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 65.11 110.843 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -122.23 104.91 9.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 74.01 110.957 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.96 -156.81 46.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 75.55 112.54 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -19.58 35.83 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 73.33 112.353 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -111.37 143.86 41.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 72.22 110.989 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.5 t -85.5 124.03 31.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 63.41 110.907 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.6 mt -116.8 116.73 28.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 72.45 110.928 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.9 m -70.94 120.28 16.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.866 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 65.3 110.921 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.737 0.303 . . . . 74.14 110.885 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.9 t -72.93 -37.06 67.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 75.25 110.974 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.0 ptm -160.61 154.83 19.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.517 0.675 . . . . 74.12 110.939 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 128.18 15.59 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.685 2.257 . . . . 72.3 112.349 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.71 168.36 9.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 74.2 110.906 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -145.43 120.77 10.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 73.55 110.951 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.3 p -67.32 -36.16 80.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 73.14 111.175 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -72.99 -22.97 60.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 74.13 111.189 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -88.08 132.19 34.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 61.42 110.849 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -93.97 -35.93 12.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 74.25 110.946 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -81.39 -15.17 56.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 74.14 110.952 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.4 tpt -64.46 -42.61 95.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 73.4 110.856 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.68 -35.43 42.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 65.44 111.02 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -51.9 -53.46 40.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 73.14 110.86 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt -65.36 -41.95 93.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 65.25 110.881 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.8 t -50.23 -35.82 28.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 65.44 110.899 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.37 -37.76 51.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 74.33 110.845 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -64.55 -49.16 72.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 73.15 110.838 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 t -53.56 -35.64 61.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 74.32 110.843 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 97.9 m -72.71 -27.48 62.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 71.44 110.884 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.63 -71.86 0.19 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.727 -0.749 . . . . 71.21 112.503 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.75 172.27 30.46 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.743 -0.741 . . . . 73.32 112.513 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -51.82 118.86 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 72.33 110.971 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.59 -20.43 41.94 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.736 -0.745 . . . . 75.05 112.514 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -92.5 119.02 31.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 73.24 110.862 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.11 169.72 17.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 64.11 112.465 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -144.25 158.24 43.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.772 0.32 . . . . 74.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 38.5 t -110.2 108.8 19.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 65.11 110.923 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -130.14 109.09 10.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 74.01 110.917 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.37 -161.28 42.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 75.55 112.498 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -18.41 37.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 73.33 112.37 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -114.23 149.23 36.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 72.22 110.927 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.8 t -85.72 126.99 34.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 63.41 110.908 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.6 mt -114.06 119.98 39.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 72.45 110.922 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.0 m -79.01 151.99 31.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 72.33 110.857 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 65.3 110.91 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ptt? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.806 0.336 . . . . 74.14 110.87 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.3 t -82.96 -36.62 24.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 75.25 110.914 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.4 ptm -160.9 154.75 18.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 74.12 110.871 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 128.23 15.76 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.693 2.262 . . . . 72.3 112.36 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.88 168.9 8.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 74.2 110.89 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -145.51 118.92 9.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 73.55 110.848 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.7 p -65.91 -35.76 81.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 73.14 111.137 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.2 t -73.11 -23.0 60.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 74.13 111.149 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -88.53 132.54 34.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.284 -0.416 . . . . 61.42 110.853 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -94.12 -35.9 12.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 74.25 110.871 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -81.35 -15.28 55.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.91 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.5 tpt -64.15 -42.91 96.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 73.4 110.845 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.67 -35.23 41.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 65.44 111.101 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -51.9 -51.34 57.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.88 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -67.66 -41.53 83.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 65.25 110.986 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 t -50.35 -35.84 29.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 65.44 110.892 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -77.3 -37.86 51.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.859 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -63.91 -49.34 73.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 73.15 110.903 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.4 t -53.55 -35.58 60.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 74.32 110.95 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.0 m -72.34 -27.36 62.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 71.44 110.907 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.88 -72.09 0.18 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.778 -0.725 . . . . 71.21 112.467 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.73 172.39 30.44 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 73.32 112.483 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -51.81 118.96 3.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.845 0.355 . . . . 72.33 110.839 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.62 -20.51 41.63 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.736 -0.745 . . . . 75.05 112.499 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -92.74 119.05 31.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 73.24 110.862 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.33 169.72 17.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 64.11 112.531 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -144.78 156.43 44.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 74.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.2 t -108.93 108.89 19.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 65.11 110.938 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -129.5 109.89 11.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 74.01 110.941 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.4 -160.82 46.15 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 75.55 112.445 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -18.85 37.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.713 2.276 . . . . 73.33 112.378 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -113.59 148.4 36.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 72.22 110.896 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.7 t -85.9 127.25 34.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 63.41 110.873 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.8 mt -114.19 119.61 37.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 72.45 110.928 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.0 m -78.33 152.02 32.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 72.33 110.897 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 65.3 110.894 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ppp? . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.812 0.339 . . . . 74.14 110.838 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.7 t -83.89 -35.33 24.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 75.25 110.844 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.1 ptm -163.38 154.77 14.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.733 . . . . 74.12 110.877 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 128.05 15.46 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.682 2.255 . . . . 72.3 112.375 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.22 169.7 8.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 74.2 110.9 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -145.44 113.47 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 73.55 110.817 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.3 p -61.05 -35.72 77.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 73.14 111.145 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.7 t -72.37 -23.09 61.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 74.13 111.105 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -88.83 132.83 34.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 61.42 110.92 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -94.15 -35.77 12.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 74.25 110.851 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -81.33 -15.25 55.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 74.14 110.972 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.5 tpt -63.35 -41.73 98.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 73.4 110.885 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.66 -35.25 41.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 65.44 111.111 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -49.07 63.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 73.14 110.948 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -70.15 -41.83 73.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 65.25 110.902 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.2 t -50.55 -37.39 39.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 65.44 110.811 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -76.13 -36.82 58.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.83 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.61 -49.74 72.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 73.15 110.928 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -53.66 -35.5 61.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.896 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.1 m -71.61 -27.53 63.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.44 110.946 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.02 -72.12 0.18 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 71.21 112.478 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.68 172.38 30.4 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.687 -0.768 . . . . 73.32 112.425 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 118.92 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 72.33 110.948 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.67 -20.47 41.62 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 75.05 112.441 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -93.09 119.66 32.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 73.24 110.89 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.08 -179.89 17.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 64.11 112.482 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.34 151.51 24.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 74.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.0 t -104.46 108.66 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 65.11 110.889 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -124.33 107.86 11.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 74.01 110.921 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.51 -156.72 48.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 75.55 112.481 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -20.15 35.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.613 2.209 . . . . 73.33 112.36 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -109.74 153.4 24.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 72.22 110.938 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.9 t -94.06 119.18 32.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 63.41 110.836 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.7 mt -108.52 120.21 41.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 72.45 110.912 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 31.9 m -78.51 152.02 32.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 72.33 110.961 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 65.3 110.867 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ptm . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.86 0.362 . . . . 74.14 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.6 t -79.1 -35.61 42.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 75.25 110.862 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.0 ptm -161.73 154.74 17.4 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.56 0.695 . . . . 74.12 110.853 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 128.28 15.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.744 2.296 . . . . 72.3 112.319 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.48 171.52 7.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.2 110.83 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -145.51 127.22 15.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 73.55 110.83 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.9 p -73.77 -35.51 64.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 73.14 111.159 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.7 t -74.87 -22.98 58.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 74.13 111.145 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -90.57 131.25 36.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 61.42 110.864 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -94.31 -32.38 13.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 74.25 110.829 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -80.92 -15.11 57.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 74.14 110.856 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.0 tpt -64.96 -42.29 94.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 73.4 110.87 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.73 -35.35 42.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 65.44 111.113 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -51.86 -50.9 60.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -69.92 -39.25 76.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 65.25 110.881 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.0 t -50.57 -43.23 56.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 65.44 110.923 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -72.54 -36.95 68.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 74.33 110.872 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.55 -50.65 70.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.15 110.867 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.7 t -53.88 -35.43 61.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.893 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.7 m -70.08 -27.51 64.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 71.44 110.881 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.82 -71.78 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 71.21 112.503 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.7 172.12 30.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.732 -0.747 . . . . 73.32 112.44 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -51.83 118.85 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 72.33 110.976 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.62 -20.48 41.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 75.05 112.536 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -92.79 119.77 32.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.357 . . . . 73.24 110.889 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.21 -179.93 18.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.785 -0.721 . . . . 64.11 112.521 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.4 152.74 26.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.816 0.341 . . . . 74.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.8 t -104.29 108.89 20.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 65.11 110.929 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -127.11 108.34 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 74.01 110.919 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.22 -157.77 48.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.707 -0.759 . . . . 75.55 112.579 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -19.62 35.87 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.761 2.307 . . . . 73.33 112.36 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -110.97 152.52 26.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 72.22 110.893 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.9 t -92.02 118.54 30.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 63.41 110.862 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.0 mt -105.27 121.07 43.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 72.45 110.871 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.4 m -82.49 151.98 26.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 72.33 110.964 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 65.3 110.927 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ptm . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.856 0.36 . . . . 74.14 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 14.8 t -64.18 -36.42 84.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 75.25 110.859 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.8 ptm -161.76 154.52 17.09 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.711 . . . . 74.12 110.869 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 128.31 15.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.649 2.233 . . . . 72.3 112.365 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.7 169.93 8.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 74.2 110.834 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -145.61 115.12 7.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 73.55 110.887 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.8 p -63.0 -35.53 80.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 73.14 111.15 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.3 t -73.33 -23.05 60.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 74.13 111.091 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -88.68 132.8 34.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 61.42 110.909 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -94.21 -35.81 12.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 74.25 110.85 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -81.38 -15.24 55.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 74.14 110.89 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.2 tpt -64.51 -42.46 95.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.867 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.51 -35.38 40.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 65.44 111.134 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -52.05 -50.57 61.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 73.14 110.864 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -69.65 -39.43 77.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 65.25 110.878 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 t -50.45 -44.01 55.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 65.44 110.858 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -72.99 -36.51 67.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.811 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.37 -51.0 69.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 73.15 110.857 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 t -53.83 -35.64 61.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 74.32 110.841 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.2 m -69.6 -27.33 65.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 71.44 110.853 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.99 -71.85 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.681 -0.771 . . . . 71.21 112.464 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.71 172.09 30.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.792 -0.718 . . . . 73.32 112.545 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.8 tttt -51.88 118.88 3.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 72.33 110.904 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.61 -20.41 41.96 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 75.05 112.503 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 mtt85 -92.56 119.09 31.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 73.24 110.946 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.48 172.51 18.23 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 64.11 112.572 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -148.09 155.3 41.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.805 0.336 . . . . 74.0 110.917 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.1 t -107.04 108.77 20.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 65.11 110.892 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -129.33 110.14 11.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 74.01 110.959 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.91 -160.19 48.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 75.55 112.461 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -18.29 36.87 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.676 2.251 . . . . 73.33 112.346 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -113.48 150.02 33.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 72.22 110.883 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.9 t -88.29 125.16 34.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 63.41 110.904 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.3 mt -110.89 121.89 46.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 72.45 110.922 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.0 m -84.18 126.96 33.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 72.33 110.972 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 65.3 110.878 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.894 0.378 . . . . 74.14 110.907 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.4 t -77.58 -36.02 52.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 75.25 110.841 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.0 ptm -162.2 154.45 16.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.529 0.681 . . . . 74.12 110.927 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 128.38 15.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.266 . . . . 72.3 112.34 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.73 168.78 9.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 74.2 110.899 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -145.51 117.78 8.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 73.55 110.903 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.5 t -64.39 -36.12 83.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 73.14 111.099 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.5 t -72.27 -22.22 61.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 74.13 111.11 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -88.65 132.4 34.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 61.42 110.877 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -94.04 -35.85 12.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 74.25 110.805 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -81.3 -15.22 56.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.14 110.877 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.1 tpt -65.7 -38.72 90.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 73.4 110.833 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.15 -35.6 49.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 65.44 111.058 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -55.76 28.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 73.14 110.813 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -61.44 -41.43 97.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 65.25 110.887 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.9 t -50.5 -45.93 56.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 65.44 110.889 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -71.86 -37.31 70.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.904 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.33 -51.36 69.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 73.15 110.883 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 t -53.77 -36.34 62.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 74.32 110.893 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 95.2 m -67.82 -27.34 66.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 71.44 110.903 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.69 -68.39 0.2 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 71.21 112.466 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.78 -169.26 15.34 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.721 -0.752 . . . . 73.32 112.448 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -69.97 116.71 10.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.793 0.33 . . . . 72.33 110.94 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.09 -20.5 42.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 75.05 112.46 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.65 119.98 27.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 73.24 110.892 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.95 -176.99 17.98 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.687 -0.768 . . . . 64.11 112.446 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.38 154.58 29.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 74.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.8 t -106.75 108.74 20.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 65.11 110.905 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -128.73 109.78 11.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 74.01 110.889 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.01 -159.96 47.86 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 75.55 112.501 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -18.56 36.89 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.675 2.25 . . . . 73.33 112.399 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -113.54 147.7 37.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 72.22 110.876 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.4 t -85.33 121.61 28.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 63.41 110.927 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.2 mt -108.26 117.66 34.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 72.45 110.97 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.1 m -79.54 119.99 23.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 72.33 110.914 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 65.3 110.933 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ptm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.848 0.356 . . . . 74.14 110.92 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.4 t -51.96 -35.56 46.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 75.25 110.903 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.0 ptm -161.99 154.62 16.81 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.574 0.702 . . . . 74.12 110.798 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 128.24 15.73 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.689 2.26 . . . . 72.3 112.325 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.54 169.6 8.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.2 110.87 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -145.47 121.39 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 73.55 110.839 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.2 t -68.56 -35.98 78.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 73.14 111.131 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -72.29 -22.21 61.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 74.13 111.183 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.32 132.44 35.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 61.42 110.816 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -94.28 -35.41 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 74.25 110.847 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -81.27 -15.19 56.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.925 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.7 tpt -63.12 -41.7 99.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 73.4 110.894 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.52 -35.57 41.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 65.44 111.109 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -52.41 -50.19 63.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 73.14 110.933 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -69.76 -39.93 76.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 65.25 110.815 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.8 t -50.53 -45.5 56.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 65.44 110.877 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -71.44 -37.1 71.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.874 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -61.44 -51.31 69.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 73.15 110.898 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.9 t -53.85 -35.61 61.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.918 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 88.3 m -68.87 -27.37 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 71.44 110.917 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.96 -71.78 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 71.21 112.488 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.72 172.18 30.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 73.32 112.529 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -51.91 118.77 3.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.853 0.359 . . . . 72.33 110.901 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.73 -20.53 41.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 75.05 112.408 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -92.73 119.73 32.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 73.24 110.862 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.51 179.6 18.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 64.11 112.448 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -157.32 152.56 26.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 74.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.1 t -103.99 108.91 20.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 65.11 110.865 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -127.85 107.88 10.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 74.01 110.908 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.45 -157.99 48.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 75.55 112.46 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -19.91 35.54 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.699 2.266 . . . . 73.33 112.296 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -110.63 151.17 27.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 72.22 110.929 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.1 t -90.86 118.16 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 63.41 110.904 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 mt -103.66 120.88 41.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 72.45 110.961 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.9 m -83.42 151.69 25.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 72.33 110.869 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 65.3 110.83 -179.913 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.899 0.38 . . . . 74.14 110.873 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.1 t -80.45 -35.32 35.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 75.25 110.871 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.3 ptm -162.28 154.96 16.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.544 0.688 . . . . 74.12 110.92 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 128.08 15.57 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.744 2.296 . . . . 72.3 112.299 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.69 168.65 8.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 74.2 110.843 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -145.54 112.98 6.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 73.55 110.866 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.7 p -60.77 -35.52 76.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 73.14 111.166 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -72.48 -23.05 60.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 74.13 111.105 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -88.49 133.73 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 61.42 110.866 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -94.19 -35.82 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 74.25 110.831 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -81.4 -15.24 55.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 74.14 110.916 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.2 tpt -64.76 -42.14 95.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 73.4 110.821 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.68 -35.48 42.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.293 -0.412 . . . . 65.44 111.097 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -53.22 -53.83 44.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 73.14 110.852 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -65.2 -40.69 94.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 65.25 110.902 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t -50.48 -42.73 54.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 65.44 110.914 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -72.34 -36.31 68.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 74.33 110.845 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -63.16 -50.3 70.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 73.15 110.86 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.9 t -53.87 -35.04 61.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 74.32 110.893 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 88.8 m -70.98 -27.47 63.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 71.44 110.845 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.08 -71.93 0.18 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.751 . . . . 71.21 112.454 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.62 172.26 30.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 73.32 112.471 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -51.86 118.84 3.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 72.33 110.916 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.64 -20.41 41.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 75.05 112.468 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -92.99 119.59 32.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.346 . . . . 73.24 110.889 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.31 -179.65 17.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.766 . . . . 64.11 112.393 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -157.28 152.55 26.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 74.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.2 t -104.56 108.85 20.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 65.11 110.857 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -126.81 109.9 12.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 74.01 110.949 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.64 -157.52 50.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.814 -0.708 . . . . 75.55 112.409 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -19.42 36.37 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.271 . . . . 73.33 112.369 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -109.88 157.26 19.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 72.22 110.956 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.5 t -96.85 116.34 29.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 63.41 110.881 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 21.7 mt -103.18 121.66 43.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 72.45 110.874 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 34.3 m -82.36 152.1 26.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 72.33 110.851 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 65.3 110.875 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ptt? . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.775 0.322 . . . . 74.14 110.939 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 21.8 t -77.44 -35.66 53.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 75.25 110.926 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.2 ptm -161.01 154.93 18.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.573 0.701 . . . . 74.12 110.891 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 128.12 15.55 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.671 2.248 . . . . 72.3 112.374 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.49 171.23 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 74.2 110.819 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -145.44 127.01 15.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 73.55 110.859 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.1 p -73.24 -35.6 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 73.14 111.138 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -75.21 -23.06 57.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 74.13 111.2 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -89.9 130.65 36.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.463 . . . . 61.42 110.879 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -94.24 -32.36 13.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 74.25 110.866 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -80.76 -15.17 57.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 74.14 110.975 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.3 tpt -64.66 -42.46 95.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 73.4 110.943 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.68 -35.49 42.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 65.44 111.138 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -51.99 -49.65 62.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 73.14 110.855 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -70.86 -39.75 72.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 65.25 110.929 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.5 t -50.55 -39.44 49.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 65.44 110.813 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -75.32 -37.15 60.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 74.33 110.861 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -63.18 -49.86 72.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 73.15 110.917 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.7 t -53.81 -35.35 61.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.916 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 88.6 m -71.3 -27.42 63.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 71.44 110.924 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.06 -72.06 0.18 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.788 -0.72 . . . . 71.21 112.471 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.68 172.42 30.39 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.749 -0.738 . . . . 73.32 112.487 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -51.86 118.84 3.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.794 0.33 . . . . 72.33 110.926 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.6 -20.43 41.88 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 75.05 112.548 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -93.07 119.75 32.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.933 0.396 . . . . 73.24 110.851 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.68 179.77 18.23 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.803 -0.713 . . . . 64.11 112.519 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.34 152.47 25.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 74.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.6 t -104.81 108.81 20.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 65.11 110.885 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -125.43 106.76 10.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 74.01 110.926 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.88 -157.3 46.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 75.55 112.511 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -20.22 34.89 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.686 2.257 . . . . 73.33 112.333 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -110.84 148.56 32.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 72.22 110.925 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.9 t -88.94 119.91 29.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 63.41 110.906 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.7 mt -107.75 120.68 42.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 72.45 110.902 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.5 m -79.68 152.04 30.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 72.33 110.905 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 65.3 110.858 -179.937 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.844 0.354 . . . . 74.14 110.914 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.8 t -82.73 -36.12 26.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 75.25 110.865 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.5 ptm -161.15 154.42 18.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.556 0.693 . . . . 74.12 110.865 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 128.28 15.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.616 2.211 . . . . 72.3 112.359 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.98 169.77 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 74.2 110.944 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -145.58 120.8 10.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 73.55 110.855 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -66.08 -35.56 80.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 73.14 111.158 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -72.19 -22.33 61.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 74.13 111.196 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -90.16 132.01 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 61.42 110.925 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -94.17 -35.46 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 74.25 110.864 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -81.3 -15.22 56.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 74.14 110.869 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.4 tpt -62.92 -39.39 94.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.843 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.38 -35.21 62.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 65.44 111.137 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -49.48 63.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 73.14 110.852 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -70.2 -40.89 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 65.25 110.923 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.4 t -50.84 -35.95 35.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 65.44 110.872 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -78.04 -38.67 44.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 74.33 110.845 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -62.58 -50.34 71.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 73.15 110.841 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 t -53.36 -38.0 62.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.892 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.1 m -68.94 -27.28 65.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 71.44 110.928 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.26 -66.5 0.22 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.706 -0.759 . . . . 71.21 112.508 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.61 -167.18 14.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 73.32 112.462 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -72.17 116.27 12.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.826 0.346 . . . . 72.33 110.918 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.57 -20.46 41.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 75.05 112.522 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -84.62 121.94 28.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 73.24 110.89 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.16 -175.33 21.98 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.726 -0.75 . . . . 64.11 112.486 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -157.24 157.53 34.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.33 . . . . 74.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.0 t -108.0 108.58 19.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 65.11 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -128.17 111.0 12.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.929 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.95 -161.09 47.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 75.55 112.516 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -17.79 37.29 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.599 2.2 . . . . 73.33 112.325 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -116.24 141.07 48.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 72.22 110.896 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.2 t -76.78 126.73 31.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 63.41 110.901 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.0 mt -115.94 111.6 20.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.45 110.93 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.7 m -66.84 106.7 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 72.33 110.882 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 65.3 110.919 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.815 0.341 . . . . 74.14 110.872 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.1 t -80.33 -36.59 33.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 75.25 110.907 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.1 ptm -161.06 154.91 18.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.541 0.686 . . . . 74.12 110.854 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 128.22 15.68 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.676 2.251 . . . . 72.3 112.367 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.4 169.63 8.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 74.2 110.874 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -145.5 126.93 14.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 73.55 110.848 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.8 p -73.29 -35.61 66.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 73.14 111.083 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -73.34 -23.06 60.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 74.13 111.091 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -91.41 131.72 36.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.328 -0.396 . . . . 61.42 110.877 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -94.28 -32.22 13.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 74.25 110.829 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -80.72 -15.21 57.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 74.14 110.911 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.9 tpt -65.02 -42.23 94.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 73.4 110.893 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.99 -35.46 46.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 65.44 111.011 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -51.96 -52.55 49.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 73.14 110.894 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -67.34 -41.46 85.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 65.25 110.889 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.7 t -50.41 -35.8 30.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 65.44 110.902 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -77.46 -37.79 50.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.867 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -64.12 -49.38 72.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 73.15 110.915 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.6 t -53.46 -35.88 61.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.862 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.7 m -72.5 -27.35 62.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 71.44 110.915 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.6 -72.04 0.19 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 71.21 112.484 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.69 172.24 30.42 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.782 -0.723 . . . . 73.32 112.475 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -51.77 118.85 3.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 72.33 110.891 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.66 -20.41 41.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 75.05 112.494 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -92.62 119.02 31.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 73.24 110.896 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.32 171.67 17.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 64.11 112.474 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -146.65 156.59 43.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 74.0 110.955 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.1 t -108.43 108.84 19.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 65.11 110.927 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -129.55 110.36 11.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 74.01 110.914 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.55 -161.01 46.05 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 75.55 112.536 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -18.31 36.8 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 73.33 112.289 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -114.95 148.13 39.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 72.22 110.901 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.3 t -84.22 128.21 34.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 63.41 110.85 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.8 mt -115.94 119.27 35.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 72.45 110.939 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.4 m -77.75 152.08 33.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 72.33 110.852 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.7 mtm-85 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.12 -0.491 . . . . 65.3 110.882 -179.927 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 ptm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.762 0.315 . . . . 74.14 110.962 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.1 t -71.36 -35.48 71.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 75.25 110.94 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.2 ptm -162.24 154.84 16.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.594 0.711 . . . . 74.12 110.853 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 128.14 15.58 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.691 2.261 . . . . 72.3 112.313 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.44 170.3 8.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 74.2 110.874 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -145.5 121.42 10.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 73.55 110.902 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -68.48 -36.39 78.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 73.14 111.104 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.1 p -72.21 -22.17 61.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 74.13 111.109 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -90.13 132.58 35.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 61.42 110.851 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -94.17 -35.46 12.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.926 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -81.37 -15.16 56.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.14 110.896 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.7 tpt -62.99 -40.6 98.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 73.4 110.863 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.3 -35.41 50.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 65.44 111.067 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.7 ttp85 -51.91 -53.29 42.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 73.14 110.903 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -66.24 -40.7 90.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 65.25 110.898 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.9 t -50.65 -42.23 56.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 65.44 110.801 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -73.47 -36.57 65.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 74.33 110.916 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.56 -50.74 70.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 73.15 110.82 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.1 t -53.74 -35.49 61.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 74.32 110.903 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.6 m -70.13 -27.5 64.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 71.44 110.885 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.0 -71.89 0.18 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 71.21 112.523 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.68 172.19 30.41 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.784 -0.722 . . . . 73.32 112.469 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -51.87 118.8 3.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 72.33 110.927 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.64 -20.38 41.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 75.05 112.487 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -92.97 119.84 32.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.872 0.368 . . . . 73.24 110.864 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.63 180.0 18.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 64.11 112.481 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -157.34 152.5 26.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 74.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.6 t -104.7 108.9 20.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 65.11 110.85 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -126.49 107.57 10.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.975 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.63 -157.7 47.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 75.55 112.49 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -19.91 35.77 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.628 2.218 . . . . 73.33 112.353 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -110.92 150.26 29.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 72.22 110.877 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.7 t -90.2 119.39 30.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 63.41 110.85 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.5 mt -106.63 120.45 42.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 72.45 110.883 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 30.3 m -80.88 151.3 28.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.896 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 65.3 110.879 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 tmm? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.808 0.337 . . . . 74.14 110.908 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.3 t -73.25 -35.81 66.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 75.25 110.869 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.4 ptm -160.34 154.37 19.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.527 0.679 . . . . 74.12 110.941 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 128.13 15.59 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.662 2.241 . . . . 72.3 112.422 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.19 169.39 8.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 74.2 110.876 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -145.4 143.89 30.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.55 110.892 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.2 p -85.6 -35.65 20.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 73.14 111.135 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -72.79 -23.02 60.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 74.13 111.158 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -88.19 131.5 34.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 61.42 110.933 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -94.06 -35.15 12.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 74.25 110.929 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -81.36 -15.13 56.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.876 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.5 tpt -61.83 -40.95 97.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 73.4 110.815 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.62 -35.46 54.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 65.44 111.087 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -57.12 12.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 73.14 110.927 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -61.02 -40.83 95.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 65.25 110.915 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.6 t -50.8 -40.31 55.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 65.44 110.903 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -74.93 -36.37 62.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.33 110.82 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -63.57 -51.09 66.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 73.15 110.831 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -53.73 -35.5 61.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 74.32 110.894 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 92.6 m -71.16 -27.28 63.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 71.44 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.52 -72.82 0.2 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.809 -0.71 . . . . 71.21 112.519 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -146.99 171.99 27.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 73.32 112.496 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -53.34 118.47 3.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.34 . . . . 72.33 110.87 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.5 -20.44 42.11 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.749 -0.738 . . . . 75.05 112.463 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 -88.81 119.54 29.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.895 0.379 . . . . 73.24 110.817 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.76 -176.51 19.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 64.11 112.524 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -157.37 155.33 30.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.838 0.351 . . . . 74.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 46.8 t -106.22 108.87 20.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 65.11 110.885 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -126.33 105.24 8.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 74.01 110.893 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.04 -159.65 49.38 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.647 -0.787 . . . . 75.55 112.493 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -12.09 32.19 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.701 2.267 . . . . 73.33 112.363 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -117.37 138.9 51.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.912 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 t -82.38 117.47 22.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 63.41 110.918 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.7 mt -105.41 115.6 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 72.45 110.878 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 35.8 m -73.09 104.86 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 72.33 110.932 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 65.3 110.849 -179.931 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.822 0.344 . . . . 74.14 110.871 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.9 t -80.43 -35.59 34.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 75.25 110.872 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.6 ptm -163.23 154.69 14.75 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 74.12 110.88 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 128.13 15.6 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.753 2.302 . . . . 72.3 112.322 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.07 168.74 8.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 74.2 110.857 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -145.57 120.57 10.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 73.55 110.809 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.9 p -67.19 -35.85 80.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 73.14 111.083 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.6 t -72.97 -23.05 60.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.323 -0.399 . . . . 74.13 111.146 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -88.13 132.51 34.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 61.42 110.922 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.1 m80 -94.13 -35.56 12.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 74.25 110.822 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.29 -15.19 56.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 74.14 110.884 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.1 tpt -63.16 -42.51 99.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 73.4 110.863 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.73 -35.16 42.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 65.44 111.033 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -51.85 -51.59 55.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.412 . . . . 73.14 110.904 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -68.16 -41.65 81.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 65.25 110.905 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.1 t -50.59 -36.03 32.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 65.44 110.835 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -76.3 -37.27 57.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.901 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.09 -50.9 66.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 73.15 110.927 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -53.59 -35.49 60.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.94 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.0 m -72.26 -27.33 62.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 71.44 110.877 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 159.87 -72.47 0.22 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 71.21 112.454 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -143.3 174.65 23.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.727 . . . . 73.32 112.539 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.38 122.58 12.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.804 0.335 . . . . 72.33 110.916 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.43 -20.44 50.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 75.05 112.521 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.0 mtt180 -84.27 119.09 24.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 73.24 110.919 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.92 -173.66 16.94 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.753 -0.737 . . . . 64.11 112.527 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -157.33 158.59 36.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 74.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 t -107.58 108.79 20.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 65.11 110.902 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -126.61 115.13 19.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 74.01 110.88 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.28 -158.9 53.76 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.694 -0.765 . . . . 75.55 112.45 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -13.75 34.97 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.656 2.237 . . . . 73.33 112.31 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -112.96 165.55 12.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 72.22 110.896 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.0 t -103.97 116.32 32.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 63.41 110.956 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.0 mt -104.53 119.43 38.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 72.45 110.929 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.6 m -77.32 105.7 8.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 72.33 110.937 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 65.3 110.858 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.817 0.341 . . . . 74.14 110.904 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.1 t -81.59 -35.26 30.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 75.25 110.934 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.8 ptm -167.3 154.89 8.46 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.611 0.719 . . . . 74.12 110.835 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 128.11 15.54 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 72.3 112.34 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.56 170.05 8.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 74.2 110.932 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -145.35 125.5 13.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 73.55 110.935 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.5 p -73.64 -35.45 65.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 73.14 111.137 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.6 t -72.43 -22.95 61.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 74.13 111.138 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -88.07 134.41 33.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 61.42 110.807 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -94.08 -35.9 12.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 74.25 110.87 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -81.36 -15.18 56.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 74.14 110.929 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.2 tpt -64.76 -36.1 83.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 73.4 110.881 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.15 -35.74 60.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 65.44 111.082 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -58.77 -59.11 5.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.835 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.04 -43.06 73.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 65.25 110.887 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.4 t -51.3 -49.3 61.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.293 -0.412 . . . . 65.44 110.869 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -68.0 -35.41 78.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.956 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.61 -52.46 65.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 73.15 110.897 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.0 t -53.88 -35.69 61.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 74.32 110.871 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.5 m -68.58 -27.42 66.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 71.44 110.954 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.12 -71.97 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.708 -0.758 . . . . 71.21 112.454 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.51 172.16 30.29 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.706 -0.759 . . . . 73.32 112.447 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -51.87 118.97 3.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 72.33 110.873 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.61 -20.35 42.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.794 -0.717 . . . . 75.05 112.497 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -92.73 120.08 32.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 73.24 110.847 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.27 -178.26 17.68 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.733 -0.746 . . . . 64.11 112.497 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.39 154.09 28.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 74.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.2 t -104.65 108.92 20.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 65.11 110.924 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -127.33 111.14 13.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 74.01 110.926 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.31 -158.17 51.58 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.713 -0.756 . . . . 75.55 112.448 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -18.99 36.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 73.33 112.326 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -110.49 160.27 16.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 72.22 110.908 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.7 t -98.69 118.89 36.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 63.41 110.881 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.8 mt -106.32 124.98 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 72.45 110.851 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.7 m -85.58 134.5 34.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 72.33 110.927 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 ptp85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 65.3 110.857 -179.906 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.821 0.343 . . . . 74.14 110.895 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.5 t -80.67 -35.73 33.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 75.25 110.849 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.3 ptm -161.6 154.72 17.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 74.12 110.871 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 128.14 15.61 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.701 2.267 . . . . 72.3 112.338 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.57 169.63 8.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.871 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -145.43 111.06 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 73.55 110.872 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.5 p -59.38 -35.53 74.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 73.14 111.125 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -72.5 -22.94 60.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 74.13 111.125 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -89.1 132.82 34.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 61.42 110.864 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -94.15 -35.66 12.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.85 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -81.31 -15.23 56.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 74.14 110.907 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.7 tpt -63.58 -41.03 98.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 73.4 110.895 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.7 -35.37 42.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 65.44 111.134 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.9 ttp85 -52.06 -50.7 61.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 73.14 110.869 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -69.1 -40.96 78.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 65.25 110.845 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.8 t -50.38 -40.54 49.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 65.44 110.881 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -74.92 -36.58 62.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.825 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -63.05 -50.17 71.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 73.15 110.906 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 t -53.86 -35.19 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 74.32 110.898 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.9 m -70.94 -27.32 63.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 71.44 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.03 -71.84 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 71.21 112.472 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.74 172.44 30.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 73.32 112.448 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -52.06 118.83 3.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 72.33 110.945 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.71 -20.5 41.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 75.05 112.449 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.6 mtt-85 -93.03 119.77 32.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.39 . . . . 73.24 110.847 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.77 -179.94 18.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 64.11 112.49 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -157.37 151.88 25.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 74.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.2 t -105.07 108.93 20.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 65.11 110.856 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -125.92 107.37 10.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 74.01 110.91 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.79 -157.46 47.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 75.55 112.483 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -20.13 35.09 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 73.33 112.368 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -110.73 148.66 31.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.96 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.3 t -89.16 118.93 29.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 63.41 110.858 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.5 mt -106.35 118.98 38.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.467 . . . . 72.45 110.9 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.3 m -77.73 122.11 24.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 72.33 110.842 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 65.3 110.902 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 ptm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.846 0.355 . . . . 74.14 110.85 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.2 t -52.04 -35.94 48.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 75.25 110.856 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.6 ptm -161.81 154.83 17.35 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.578 0.704 . . . . 74.12 110.831 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 128.2 15.67 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 72.3 112.305 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.01 169.92 8.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 74.2 110.822 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -145.53 142.31 29.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.55 110.862 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.9 p -85.9 -36.11 20.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 73.14 111.165 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -75.4 -23.03 57.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 74.13 111.037 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.06 131.62 34.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 61.42 110.902 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -94.01 -36.05 12.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 74.25 110.901 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -81.36 -15.23 55.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.14 110.911 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.0 tpt -63.91 -40.53 96.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.4 110.911 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.76 -38.82 57.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 65.44 111.133 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -55.96 24.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 73.14 110.885 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -59.27 -42.39 91.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 65.25 110.833 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.0 t -50.76 -44.97 58.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 65.44 110.858 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -71.61 -36.86 70.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.865 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.37 -50.65 70.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 73.15 110.853 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.6 t -53.89 -35.87 62.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.939 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.1 m -67.92 -27.43 66.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 71.44 110.857 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.67 -65.68 0.2 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 71.21 112.494 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.71 -162.84 10.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 73.32 112.481 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -76.5 116.99 17.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.352 . . . . 72.33 110.916 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.57 -20.45 41.91 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.835 -0.698 . . . . 75.05 112.529 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.9 mtt-85 -88.3 119.89 29.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.839 0.352 . . . . 73.24 110.867 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.01 -178.48 17.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.792 -0.718 . . . . 64.11 112.455 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.34 153.49 27.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.866 0.365 . . . . 74.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.5 t -105.28 108.89 20.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 65.11 110.859 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -127.76 108.29 10.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 74.01 110.912 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.23 -158.36 49.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.657 -0.782 . . . . 75.55 112.531 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.59 -19.86 36.38 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.715 2.276 . . . . 73.33 112.408 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -110.31 151.08 27.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 72.22 110.988 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.7 t -90.95 118.13 30.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 63.41 110.855 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.5 mt -103.98 121.78 43.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 72.45 110.95 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.2 m -85.58 128.49 34.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 72.33 110.872 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 65.3 110.876 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.816 0.341 . . . . 74.14 110.892 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.5 t -65.65 -35.42 80.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 75.25 110.876 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.3 ptm -162.67 154.82 15.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.587 0.708 . . . . 74.12 110.86 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 128.25 15.74 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.649 2.233 . . . . 72.3 112.32 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.89 169.63 8.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.2 110.908 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -145.51 128.25 16.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 73.55 110.87 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.2 p -73.86 -35.59 64.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 73.14 111.155 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -73.57 -22.93 59.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 74.13 111.089 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -88.0 132.33 34.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 61.42 110.856 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -94.15 -35.28 12.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.855 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -81.26 -15.24 56.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.863 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.7 tpt -64.07 -40.24 95.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.956 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.18 -35.46 49.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 65.44 111.134 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.81 -56.58 17.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.931 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -60.77 -41.77 96.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 65.25 110.898 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.0 t -50.49 -41.66 53.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 65.44 110.9 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -73.83 -36.42 64.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.866 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.71 -50.6 70.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 73.15 110.837 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 t -53.9 -35.26 61.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 74.32 110.889 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.2 m -70.28 -27.41 64.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 71.44 110.899 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.1 -71.87 0.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 71.21 112.466 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.74 172.18 30.46 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 73.32 112.498 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -51.79 118.9 3.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.332 . . . . 72.33 110.865 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.59 -20.51 41.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 75.05 112.524 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -92.83 119.58 32.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 73.24 110.887 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.9 179.92 18.09 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.752 -0.737 . . . . 64.11 112.457 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -157.34 152.16 25.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.368 . . . . 74.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.3 t -104.35 108.75 20.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 65.11 110.854 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -125.8 107.13 10.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 74.01 111.016 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.43 -157.47 47.93 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.792 -0.718 . . . . 75.55 112.542 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 -19.91 35.48 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.729 2.286 . . . . 73.33 112.343 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -110.59 150.03 29.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 72.22 110.903 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.9 t -90.45 119.56 30.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 63.41 110.83 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 mt -107.64 120.44 42.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 72.45 110.887 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 28.7 m -80.42 152.02 29.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 72.33 110.86 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 65.3 110.894 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 ptm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.854 0.359 . . . . 74.14 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.2 t -52.58 -35.85 54.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 75.25 110.847 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.6 ptm -162.32 154.66 16.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.644 0.735 . . . . 74.12 110.82 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 128.17 15.65 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.723 2.282 . . . . 72.3 112.322 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.39 170.49 8.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 74.2 110.855 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -145.56 123.07 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 73.55 110.851 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.0 p -71.06 -35.72 72.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 73.14 111.124 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -74.1 -22.91 59.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.214 -0.448 . . . . 74.13 111.157 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -89.24 132.82 34.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 61.42 110.873 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -94.17 -35.49 12.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.821 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -81.3 -15.2 56.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 74.14 110.902 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.3 tpt -63.37 -41.66 98.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 73.4 110.835 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.78 -35.23 61.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 65.44 111.077 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -46.1 64.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.938 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -74.51 -39.63 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 65.25 110.948 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 t -50.55 -44.16 56.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 65.44 110.843 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -72.6 -36.34 68.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.83 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -62.6 -50.92 69.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 73.15 110.897 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.7 t -54.03 -35.12 61.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.887 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 92.8 m -69.77 -27.4 64.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 71.44 110.885 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.94 -71.53 0.19 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 71.21 112.464 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.75 172.12 30.48 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 73.32 112.53 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -52.05 118.86 3.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.34 . . . . 72.33 110.909 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.57 -20.44 41.94 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.709 -0.758 . . . . 75.05 112.449 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -92.25 119.08 31.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 73.24 110.858 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.11 169.44 17.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 64.11 112.456 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -144.24 157.81 44.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 74.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.4 t -110.25 108.81 19.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 65.11 110.868 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -130.28 106.8 8.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 74.01 110.98 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.05 -160.86 41.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 75.55 112.486 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -19.06 36.5 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.735 2.29 . . . . 73.33 112.343 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -111.95 149.56 31.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 72.22 110.892 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.1 t -88.19 123.7 33.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 63.41 110.856 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.8 mt -109.24 120.4 42.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 72.45 110.931 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.7 m -82.56 152.03 26.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 72.33 110.872 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 65.3 110.9 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.834 0.349 . . . . 74.14 110.833 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.5 t -74.67 -35.49 62.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 75.25 110.922 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.1 ptm -161.66 154.37 17.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.525 0.679 . . . . 74.12 110.927 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 128.18 15.75 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.709 2.273 . . . . 72.3 112.33 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.75 169.63 8.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.2 110.891 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -145.43 132.92 20.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 73.55 110.846 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 59.3 p -77.02 -35.77 56.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 73.14 111.129 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.0 t -72.68 -22.98 60.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 74.13 111.152 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.14 131.61 35.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 61.42 110.822 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -94.24 -34.95 12.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 74.25 110.841 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -81.24 -15.14 56.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 74.14 110.97 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.6 tpt -61.49 -41.82 97.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.901 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.21 -35.86 50.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 65.44 111.097 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.21 -50.05 62.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 73.14 110.912 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -68.93 -41.43 78.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 65.25 110.955 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.2 t -50.4 -36.09 31.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 65.44 110.885 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -78.2 -36.04 47.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 74.33 110.957 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -63.98 -49.95 70.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 73.15 110.911 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 t -53.82 -34.93 60.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 74.32 110.876 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 96.9 m -71.63 -27.46 63.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 71.44 110.876 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.6 -71.41 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 71.21 112.477 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.72 171.82 30.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.809 -0.71 . . . . 73.32 112.514 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 118.86 3.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.807 0.337 . . . . 72.33 110.909 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.5 -20.42 42.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.682 -0.77 . . . . 75.05 112.478 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -92.08 119.32 31.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 73.24 110.858 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.28 -179.75 19.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.796 -0.716 . . . . 64.11 112.555 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.31 152.43 25.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 74.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 46.0 t -104.5 108.65 20.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 65.11 110.843 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -122.23 104.91 9.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 74.01 110.957 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.96 -156.81 46.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 75.55 112.54 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -19.58 35.83 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 73.33 112.353 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -111.37 143.86 41.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 72.22 110.989 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.5 t -85.5 124.03 31.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 63.41 110.907 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.6 mt -116.8 116.73 28.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 72.45 110.928 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.9 m -70.94 120.28 16.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.866 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 65.3 110.921 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.737 0.303 . . . . 74.14 110.885 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.9 t -72.93 -37.06 67.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 75.25 110.974 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.0 ptm -160.61 154.83 19.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.517 0.675 . . . . 74.12 110.939 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 128.18 15.59 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.685 2.257 . . . . 72.3 112.349 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.71 168.36 9.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 74.2 110.906 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -145.43 120.77 10.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 73.55 110.951 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.3 p -67.32 -36.16 80.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 73.14 111.175 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -72.99 -22.97 60.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 74.13 111.189 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -88.08 132.19 34.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 61.42 110.849 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -93.97 -35.93 12.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 74.25 110.946 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -81.39 -15.17 56.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 74.14 110.952 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.4 tpt -64.46 -42.61 95.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 73.4 110.856 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.68 -35.43 42.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 65.44 111.02 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -51.9 -53.46 40.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 73.14 110.86 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt -65.36 -41.95 93.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 65.25 110.881 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.8 t -50.23 -35.82 28.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 65.44 110.899 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.37 -37.76 51.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 74.33 110.845 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -64.55 -49.16 72.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 73.15 110.838 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 t -53.56 -35.64 61.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 74.32 110.843 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 97.9 m -72.71 -27.48 62.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 71.44 110.884 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.63 -71.86 0.19 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.727 -0.749 . . . . 71.21 112.503 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.75 172.27 30.46 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.743 -0.741 . . . . 73.32 112.513 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -51.82 118.86 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 72.33 110.971 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.59 -20.43 41.94 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.736 -0.745 . . . . 75.05 112.514 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -92.5 119.02 31.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 73.24 110.862 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.11 169.72 17.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 64.11 112.465 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -144.25 158.24 43.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.772 0.32 . . . . 74.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 38.5 t -110.2 108.8 19.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 65.11 110.923 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -130.14 109.09 10.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 74.01 110.917 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.37 -161.28 42.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 75.55 112.498 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -18.41 37.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 73.33 112.37 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -114.23 149.23 36.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 72.22 110.927 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.8 t -85.72 126.99 34.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 63.41 110.908 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.6 mt -114.06 119.98 39.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 72.45 110.922 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.0 m -79.01 151.99 31.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 72.33 110.857 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 65.3 110.91 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ptt? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.806 0.336 . . . . 74.14 110.87 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.3 t -82.96 -36.62 24.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 75.25 110.914 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.4 ptm -160.9 154.75 18.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 74.12 110.871 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 128.23 15.76 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.693 2.262 . . . . 72.3 112.36 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.88 168.9 8.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 74.2 110.89 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -145.51 118.92 9.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 73.55 110.848 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.7 p -65.91 -35.76 81.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 73.14 111.137 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.2 t -73.11 -23.0 60.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 74.13 111.149 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -88.53 132.54 34.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.284 -0.416 . . . . 61.42 110.853 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -94.12 -35.9 12.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 74.25 110.871 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -81.35 -15.28 55.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.91 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.5 tpt -64.15 -42.91 96.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 73.4 110.845 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.67 -35.23 41.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 65.44 111.101 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -51.9 -51.34 57.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.88 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -67.66 -41.53 83.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 65.25 110.986 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 t -50.35 -35.84 29.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 65.44 110.892 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -77.3 -37.86 51.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.859 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -63.91 -49.34 73.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 73.15 110.903 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.4 t -53.55 -35.58 60.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 74.32 110.95 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.0 m -72.34 -27.36 62.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 71.44 110.907 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.88 -72.09 0.18 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.778 -0.725 . . . . 71.21 112.467 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.73 172.39 30.44 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 73.32 112.483 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -51.81 118.96 3.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.845 0.355 . . . . 72.33 110.839 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.62 -20.51 41.63 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.736 -0.745 . . . . 75.05 112.499 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -92.74 119.05 31.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 73.24 110.862 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.33 169.72 17.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 64.11 112.531 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -144.78 156.43 44.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 74.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.2 t -108.93 108.89 19.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 65.11 110.938 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -129.5 109.89 11.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 74.01 110.941 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.4 -160.82 46.15 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 75.55 112.445 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -18.85 37.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.713 2.276 . . . . 73.33 112.378 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -113.59 148.4 36.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 72.22 110.896 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.7 t -85.9 127.25 34.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 63.41 110.873 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.8 mt -114.19 119.61 37.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 72.45 110.928 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.0 m -78.33 152.02 32.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 72.33 110.897 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 65.3 110.894 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ppp? . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.812 0.339 . . . . 74.14 110.838 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.7 t -83.89 -35.33 24.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 75.25 110.844 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.1 ptm -163.38 154.77 14.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.733 . . . . 74.12 110.877 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 128.05 15.46 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.682 2.255 . . . . 72.3 112.375 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.22 169.7 8.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 74.2 110.9 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -145.44 113.47 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 73.55 110.817 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.3 p -61.05 -35.72 77.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 73.14 111.145 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.7 t -72.37 -23.09 61.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 74.13 111.105 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -88.83 132.83 34.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 61.42 110.92 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -94.15 -35.77 12.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 74.25 110.851 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -81.33 -15.25 55.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 74.14 110.972 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.5 tpt -63.35 -41.73 98.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 73.4 110.885 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.66 -35.25 41.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 65.44 111.111 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -49.07 63.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 73.14 110.948 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -70.15 -41.83 73.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 65.25 110.902 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.2 t -50.55 -37.39 39.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 65.44 110.811 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -76.13 -36.82 58.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.83 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.61 -49.74 72.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 73.15 110.928 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -53.66 -35.5 61.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.896 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.1 m -71.61 -27.53 63.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.44 110.946 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.02 -72.12 0.18 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 71.21 112.478 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.68 172.38 30.4 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.687 -0.768 . . . . 73.32 112.425 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 118.92 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 72.33 110.948 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.67 -20.47 41.62 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 75.05 112.441 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -93.09 119.66 32.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 73.24 110.89 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.08 -179.89 17.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 64.11 112.482 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.34 151.51 24.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 74.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.0 t -104.46 108.66 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 65.11 110.889 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -124.33 107.86 11.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 74.01 110.921 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.51 -156.72 48.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 75.55 112.481 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -20.15 35.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.613 2.209 . . . . 73.33 112.36 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -109.74 153.4 24.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 72.22 110.938 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.9 t -94.06 119.18 32.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 63.41 110.836 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.7 mt -108.52 120.21 41.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 72.45 110.912 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 31.9 m -78.51 152.02 32.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 72.33 110.961 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 65.3 110.867 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ptm . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.86 0.362 . . . . 74.14 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.6 t -79.1 -35.61 42.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 75.25 110.862 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.0 ptm -161.73 154.74 17.4 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.56 0.695 . . . . 74.12 110.853 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 128.28 15.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.744 2.296 . . . . 72.3 112.319 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.48 171.52 7.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.2 110.83 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -145.51 127.22 15.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 73.55 110.83 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.9 p -73.77 -35.51 64.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 73.14 111.159 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.7 t -74.87 -22.98 58.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 74.13 111.145 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -90.57 131.25 36.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 61.42 110.864 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -94.31 -32.38 13.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 74.25 110.829 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -80.92 -15.11 57.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 74.14 110.856 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.0 tpt -64.96 -42.29 94.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 73.4 110.87 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.73 -35.35 42.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 65.44 111.113 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -51.86 -50.9 60.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -69.92 -39.25 76.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 65.25 110.881 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.0 t -50.57 -43.23 56.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 65.44 110.923 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -72.54 -36.95 68.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 74.33 110.872 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.55 -50.65 70.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.15 110.867 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.7 t -53.88 -35.43 61.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.893 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.7 m -70.08 -27.51 64.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 71.44 110.881 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.82 -71.78 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 71.21 112.503 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.7 172.12 30.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.732 -0.747 . . . . 73.32 112.44 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -51.83 118.85 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 72.33 110.976 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.62 -20.48 41.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 75.05 112.536 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -92.79 119.77 32.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.357 . . . . 73.24 110.889 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.21 -179.93 18.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.785 -0.721 . . . . 64.11 112.521 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.4 152.74 26.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.816 0.341 . . . . 74.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.8 t -104.29 108.89 20.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 65.11 110.929 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -127.11 108.34 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 74.01 110.919 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.22 -157.77 48.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.707 -0.759 . . . . 75.55 112.579 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -19.62 35.87 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.761 2.307 . . . . 73.33 112.36 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -110.97 152.52 26.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 72.22 110.893 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.9 t -92.02 118.54 30.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 63.41 110.862 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.0 mt -105.27 121.07 43.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 72.45 110.871 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.4 m -82.49 151.98 26.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 72.33 110.964 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 65.3 110.927 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ptm . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.856 0.36 . . . . 74.14 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 14.8 t -64.18 -36.42 84.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 75.25 110.859 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.8 ptm -161.76 154.52 17.09 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.711 . . . . 74.12 110.869 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 128.31 15.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.649 2.233 . . . . 72.3 112.365 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.7 169.93 8.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 74.2 110.834 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -145.61 115.12 7.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 73.55 110.887 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.8 p -63.0 -35.53 80.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 73.14 111.15 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.3 t -73.33 -23.05 60.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 74.13 111.091 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -88.68 132.8 34.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 61.42 110.909 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -94.21 -35.81 12.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 74.25 110.85 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -81.38 -15.24 55.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 74.14 110.89 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.2 tpt -64.51 -42.46 95.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.867 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.51 -35.38 40.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 65.44 111.134 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -52.05 -50.57 61.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 73.14 110.864 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -69.65 -39.43 77.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 65.25 110.878 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 t -50.45 -44.01 55.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 65.44 110.858 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -72.99 -36.51 67.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.811 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.37 -51.0 69.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 73.15 110.857 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 t -53.83 -35.64 61.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 74.32 110.841 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.2 m -69.6 -27.33 65.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 71.44 110.853 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.99 -71.85 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.681 -0.771 . . . . 71.21 112.464 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.71 172.09 30.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.792 -0.718 . . . . 73.32 112.545 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.8 tttt -51.88 118.88 3.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 72.33 110.904 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.61 -20.41 41.96 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 75.05 112.503 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 mtt85 -92.56 119.09 31.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 73.24 110.946 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.48 172.51 18.23 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 64.11 112.572 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -148.09 155.3 41.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.805 0.336 . . . . 74.0 110.917 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.1 t -107.04 108.77 20.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 65.11 110.892 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -129.33 110.14 11.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 74.01 110.959 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.91 -160.19 48.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 75.55 112.461 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -18.29 36.87 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.676 2.251 . . . . 73.33 112.346 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -113.48 150.02 33.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 72.22 110.883 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.9 t -88.29 125.16 34.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 63.41 110.904 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.3 mt -110.89 121.89 46.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 72.45 110.922 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.0 m -84.18 126.96 33.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 72.33 110.972 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 65.3 110.878 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.894 0.378 . . . . 74.14 110.907 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.4 t -77.58 -36.02 52.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 75.25 110.841 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.0 ptm -162.2 154.45 16.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.529 0.681 . . . . 74.12 110.927 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 128.38 15.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.266 . . . . 72.3 112.34 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.73 168.78 9.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 74.2 110.899 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -145.51 117.78 8.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 73.55 110.903 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.5 t -64.39 -36.12 83.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 73.14 111.099 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.5 t -72.27 -22.22 61.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 74.13 111.11 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -88.65 132.4 34.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 61.42 110.877 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -94.04 -35.85 12.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 74.25 110.805 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -81.3 -15.22 56.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.14 110.877 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.1 tpt -65.7 -38.72 90.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 73.4 110.833 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.15 -35.6 49.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 65.44 111.058 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -55.76 28.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 73.14 110.813 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -61.44 -41.43 97.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 65.25 110.887 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.9 t -50.5 -45.93 56.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 65.44 110.889 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -71.86 -37.31 70.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.904 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.33 -51.36 69.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 73.15 110.883 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 t -53.77 -36.34 62.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 74.32 110.893 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 95.2 m -67.82 -27.34 66.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 71.44 110.903 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.69 -68.39 0.2 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 71.21 112.466 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.78 -169.26 15.34 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.721 -0.752 . . . . 73.32 112.448 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -69.97 116.71 10.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.793 0.33 . . . . 72.33 110.94 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.09 -20.5 42.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 75.05 112.46 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.65 119.98 27.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 73.24 110.892 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.95 -176.99 17.98 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.687 -0.768 . . . . 64.11 112.446 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.38 154.58 29.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 74.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.8 t -106.75 108.74 20.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 65.11 110.905 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -128.73 109.78 11.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 74.01 110.889 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.01 -159.96 47.86 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 75.55 112.501 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -18.56 36.89 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.675 2.25 . . . . 73.33 112.399 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -113.54 147.7 37.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 72.22 110.876 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.4 t -85.33 121.61 28.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 63.41 110.927 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.2 mt -108.26 117.66 34.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 72.45 110.97 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.1 m -79.54 119.99 23.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 72.33 110.914 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 65.3 110.933 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ptm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.848 0.356 . . . . 74.14 110.92 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.4 t -51.96 -35.56 46.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 75.25 110.903 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.0 ptm -161.99 154.62 16.81 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.574 0.702 . . . . 74.12 110.798 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 128.24 15.73 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.689 2.26 . . . . 72.3 112.325 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.54 169.6 8.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.2 110.87 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -145.47 121.39 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 73.55 110.839 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.2 t -68.56 -35.98 78.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 73.14 111.131 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -72.29 -22.21 61.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 74.13 111.183 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.32 132.44 35.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 61.42 110.816 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -94.28 -35.41 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 74.25 110.847 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -81.27 -15.19 56.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.925 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.7 tpt -63.12 -41.7 99.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 73.4 110.894 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.52 -35.57 41.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 65.44 111.109 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -52.41 -50.19 63.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 73.14 110.933 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -69.76 -39.93 76.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 65.25 110.815 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.8 t -50.53 -45.5 56.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 65.44 110.877 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -71.44 -37.1 71.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.874 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -61.44 -51.31 69.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 73.15 110.898 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.9 t -53.85 -35.61 61.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.918 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 88.3 m -68.87 -27.37 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 71.44 110.917 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.96 -71.78 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 71.21 112.488 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.72 172.18 30.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 73.32 112.529 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -51.91 118.77 3.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.853 0.359 . . . . 72.33 110.901 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.73 -20.53 41.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 75.05 112.408 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -92.73 119.73 32.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 73.24 110.862 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.51 179.6 18.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 64.11 112.448 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -157.32 152.56 26.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 74.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.1 t -103.99 108.91 20.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 65.11 110.865 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -127.85 107.88 10.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 74.01 110.908 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.45 -157.99 48.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 75.55 112.46 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -19.91 35.54 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.699 2.266 . . . . 73.33 112.296 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -110.63 151.17 27.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 72.22 110.929 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.1 t -90.86 118.16 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 63.41 110.904 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 mt -103.66 120.88 41.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 72.45 110.961 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.9 m -83.42 151.69 25.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 72.33 110.869 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 65.3 110.83 -179.913 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.899 0.38 . . . . 74.14 110.873 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.1 t -80.45 -35.32 35.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 75.25 110.871 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.3 ptm -162.28 154.96 16.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.544 0.688 . . . . 74.12 110.92 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 128.08 15.57 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.744 2.296 . . . . 72.3 112.299 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.69 168.65 8.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 74.2 110.843 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -145.54 112.98 6.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 73.55 110.866 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.7 p -60.77 -35.52 76.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 73.14 111.166 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -72.48 -23.05 60.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 74.13 111.105 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -88.49 133.73 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 61.42 110.866 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -94.19 -35.82 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 74.25 110.831 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -81.4 -15.24 55.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 74.14 110.916 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.2 tpt -64.76 -42.14 95.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 73.4 110.821 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.68 -35.48 42.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.293 -0.412 . . . . 65.44 111.097 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -53.22 -53.83 44.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 73.14 110.852 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -65.2 -40.69 94.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 65.25 110.902 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t -50.48 -42.73 54.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 65.44 110.914 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -72.34 -36.31 68.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 74.33 110.845 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -63.16 -50.3 70.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 73.15 110.86 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.9 t -53.87 -35.04 61.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 74.32 110.893 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 88.8 m -70.98 -27.47 63.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 71.44 110.845 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.08 -71.93 0.18 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.751 . . . . 71.21 112.454 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.62 172.26 30.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 73.32 112.471 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -51.86 118.84 3.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 72.33 110.916 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.64 -20.41 41.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 75.05 112.468 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -92.99 119.59 32.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.346 . . . . 73.24 110.889 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.31 -179.65 17.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.766 . . . . 64.11 112.393 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -157.28 152.55 26.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 74.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.2 t -104.56 108.85 20.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 65.11 110.857 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -126.81 109.9 12.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 74.01 110.949 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.64 -157.52 50.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.814 -0.708 . . . . 75.55 112.409 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -19.42 36.37 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.271 . . . . 73.33 112.369 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -109.88 157.26 19.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 72.22 110.956 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.5 t -96.85 116.34 29.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 63.41 110.881 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 21.7 mt -103.18 121.66 43.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 72.45 110.874 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 34.3 m -82.36 152.1 26.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 72.33 110.851 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 65.3 110.875 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ptt? . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.775 0.322 . . . . 74.14 110.939 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 21.8 t -77.44 -35.66 53.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 75.25 110.926 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.2 ptm -161.01 154.93 18.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.573 0.701 . . . . 74.12 110.891 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 128.12 15.55 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.671 2.248 . . . . 72.3 112.374 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.49 171.23 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 74.2 110.819 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -145.44 127.01 15.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 73.55 110.859 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.1 p -73.24 -35.6 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 73.14 111.138 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -75.21 -23.06 57.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 74.13 111.2 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -89.9 130.65 36.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.463 . . . . 61.42 110.879 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -94.24 -32.36 13.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 74.25 110.866 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -80.76 -15.17 57.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 74.14 110.975 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.3 tpt -64.66 -42.46 95.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 73.4 110.943 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.68 -35.49 42.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 65.44 111.138 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -51.99 -49.65 62.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 73.14 110.855 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -70.86 -39.75 72.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 65.25 110.929 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.5 t -50.55 -39.44 49.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 65.44 110.813 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -75.32 -37.15 60.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 74.33 110.861 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -63.18 -49.86 72.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 73.15 110.917 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.7 t -53.81 -35.35 61.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.916 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 88.6 m -71.3 -27.42 63.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 71.44 110.924 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.06 -72.06 0.18 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.788 -0.72 . . . . 71.21 112.471 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.68 172.42 30.39 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.749 -0.738 . . . . 73.32 112.487 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -51.86 118.84 3.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.794 0.33 . . . . 72.33 110.926 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.6 -20.43 41.88 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 75.05 112.548 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -93.07 119.75 32.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.933 0.396 . . . . 73.24 110.851 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.68 179.77 18.23 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.803 -0.713 . . . . 64.11 112.519 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.34 152.47 25.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 74.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.6 t -104.81 108.81 20.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 65.11 110.885 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -125.43 106.76 10.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 74.01 110.926 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.88 -157.3 46.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 75.55 112.511 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -20.22 34.89 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.686 2.257 . . . . 73.33 112.333 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -110.84 148.56 32.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 72.22 110.925 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.9 t -88.94 119.91 29.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 63.41 110.906 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.7 mt -107.75 120.68 42.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 72.45 110.902 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.5 m -79.68 152.04 30.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 72.33 110.905 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 65.3 110.858 -179.937 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.844 0.354 . . . . 74.14 110.914 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.8 t -82.73 -36.12 26.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 75.25 110.865 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.5 ptm -161.15 154.42 18.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.556 0.693 . . . . 74.12 110.865 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 128.28 15.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.616 2.211 . . . . 72.3 112.359 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.98 169.77 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 74.2 110.944 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -145.58 120.8 10.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 73.55 110.855 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -66.08 -35.56 80.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 73.14 111.158 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -72.19 -22.33 61.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 74.13 111.196 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -90.16 132.01 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 61.42 110.925 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -94.17 -35.46 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 74.25 110.864 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -81.3 -15.22 56.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 74.14 110.869 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.4 tpt -62.92 -39.39 94.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.843 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.38 -35.21 62.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 65.44 111.137 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -49.48 63.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 73.14 110.852 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -70.2 -40.89 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 65.25 110.923 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.4 t -50.84 -35.95 35.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 65.44 110.872 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -78.04 -38.67 44.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 74.33 110.845 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -62.58 -50.34 71.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 73.15 110.841 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 t -53.36 -38.0 62.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.892 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.1 m -68.94 -27.28 65.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 71.44 110.928 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.26 -66.5 0.22 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.706 -0.759 . . . . 71.21 112.508 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.61 -167.18 14.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 73.32 112.462 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -72.17 116.27 12.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.826 0.346 . . . . 72.33 110.918 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.57 -20.46 41.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 75.05 112.522 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -84.62 121.94 28.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 73.24 110.89 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.16 -175.33 21.98 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.726 -0.75 . . . . 64.11 112.486 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -157.24 157.53 34.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.33 . . . . 74.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.0 t -108.0 108.58 19.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 65.11 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -128.17 111.0 12.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.929 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.95 -161.09 47.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 75.55 112.516 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -17.79 37.29 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.599 2.2 . . . . 73.33 112.325 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -116.24 141.07 48.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 72.22 110.896 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.2 t -76.78 126.73 31.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 63.41 110.901 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.0 mt -115.94 111.6 20.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.45 110.93 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.7 m -66.84 106.7 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 72.33 110.882 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 65.3 110.919 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.815 0.341 . . . . 74.14 110.872 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.1 t -80.33 -36.59 33.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 75.25 110.907 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.1 ptm -161.06 154.91 18.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.541 0.686 . . . . 74.12 110.854 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 128.22 15.68 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.676 2.251 . . . . 72.3 112.367 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.4 169.63 8.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 74.2 110.874 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -145.5 126.93 14.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 73.55 110.848 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.8 p -73.29 -35.61 66.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 73.14 111.083 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -73.34 -23.06 60.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 74.13 111.091 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -91.41 131.72 36.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.328 -0.396 . . . . 61.42 110.877 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -94.28 -32.22 13.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 74.25 110.829 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -80.72 -15.21 57.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 74.14 110.911 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.9 tpt -65.02 -42.23 94.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 73.4 110.893 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.99 -35.46 46.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 65.44 111.011 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -51.96 -52.55 49.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 73.14 110.894 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -67.34 -41.46 85.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 65.25 110.889 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.7 t -50.41 -35.8 30.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 65.44 110.902 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -77.46 -37.79 50.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.867 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -64.12 -49.38 72.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 73.15 110.915 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.6 t -53.46 -35.88 61.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.862 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.7 m -72.5 -27.35 62.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 71.44 110.915 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.6 -72.04 0.19 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 71.21 112.484 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.69 172.24 30.42 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.782 -0.723 . . . . 73.32 112.475 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -51.77 118.85 3.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 72.33 110.891 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.66 -20.41 41.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 75.05 112.494 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -92.62 119.02 31.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 73.24 110.896 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.32 171.67 17.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 64.11 112.474 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -146.65 156.59 43.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 74.0 110.955 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.1 t -108.43 108.84 19.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 65.11 110.927 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -129.55 110.36 11.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 74.01 110.914 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.55 -161.01 46.05 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 75.55 112.536 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -18.31 36.8 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 73.33 112.289 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -114.95 148.13 39.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 72.22 110.901 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.3 t -84.22 128.21 34.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 63.41 110.85 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.8 mt -115.94 119.27 35.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 72.45 110.939 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.4 m -77.75 152.08 33.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 72.33 110.852 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.7 mtm-85 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.12 -0.491 . . . . 65.3 110.882 -179.927 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 ptm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.762 0.315 . . . . 74.14 110.962 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.1 t -71.36 -35.48 71.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 75.25 110.94 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.2 ptm -162.24 154.84 16.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.594 0.711 . . . . 74.12 110.853 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 128.14 15.58 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.691 2.261 . . . . 72.3 112.313 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.44 170.3 8.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 74.2 110.874 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -145.5 121.42 10.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 73.55 110.902 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -68.48 -36.39 78.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 73.14 111.104 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.1 p -72.21 -22.17 61.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 74.13 111.109 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -90.13 132.58 35.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 61.42 110.851 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -94.17 -35.46 12.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.926 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -81.37 -15.16 56.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.14 110.896 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.7 tpt -62.99 -40.6 98.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 73.4 110.863 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.3 -35.41 50.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 65.44 111.067 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.7 ttp85 -51.91 -53.29 42.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 73.14 110.903 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -66.24 -40.7 90.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 65.25 110.898 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.9 t -50.65 -42.23 56.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 65.44 110.801 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -73.47 -36.57 65.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 74.33 110.916 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.56 -50.74 70.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 73.15 110.82 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.1 t -53.74 -35.49 61.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 74.32 110.903 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.6 m -70.13 -27.5 64.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 71.44 110.885 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.0 -71.89 0.18 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 71.21 112.523 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.68 172.19 30.41 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.784 -0.722 . . . . 73.32 112.469 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -51.87 118.8 3.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 72.33 110.927 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.64 -20.38 41.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 75.05 112.487 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -92.97 119.84 32.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.872 0.368 . . . . 73.24 110.864 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.63 180.0 18.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 64.11 112.481 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -157.34 152.5 26.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 74.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.6 t -104.7 108.9 20.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 65.11 110.85 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -126.49 107.57 10.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.975 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.63 -157.7 47.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 75.55 112.49 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -19.91 35.77 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.628 2.218 . . . . 73.33 112.353 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -110.92 150.26 29.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 72.22 110.877 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.7 t -90.2 119.39 30.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 63.41 110.85 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.5 mt -106.63 120.45 42.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 72.45 110.883 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 30.3 m -80.88 151.3 28.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.896 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 65.3 110.879 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 tmm? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.808 0.337 . . . . 74.14 110.908 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.3 t -73.25 -35.81 66.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 75.25 110.869 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.4 ptm -160.34 154.37 19.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.527 0.679 . . . . 74.12 110.941 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 128.13 15.59 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.662 2.241 . . . . 72.3 112.422 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.19 169.39 8.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 74.2 110.876 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -145.4 143.89 30.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.55 110.892 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.2 p -85.6 -35.65 20.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 73.14 111.135 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -72.79 -23.02 60.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 74.13 111.158 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -88.19 131.5 34.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 61.42 110.933 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -94.06 -35.15 12.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 74.25 110.929 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -81.36 -15.13 56.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.876 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.5 tpt -61.83 -40.95 97.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 73.4 110.815 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.62 -35.46 54.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 65.44 111.087 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -57.12 12.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 73.14 110.927 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -61.02 -40.83 95.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 65.25 110.915 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.6 t -50.8 -40.31 55.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 65.44 110.903 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -74.93 -36.37 62.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.33 110.82 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -63.57 -51.09 66.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 73.15 110.831 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -53.73 -35.5 61.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 74.32 110.894 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 92.6 m -71.16 -27.28 63.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 71.44 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.52 -72.82 0.2 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.809 -0.71 . . . . 71.21 112.519 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -146.99 171.99 27.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 73.32 112.496 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -53.34 118.47 3.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.34 . . . . 72.33 110.87 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.5 -20.44 42.11 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.749 -0.738 . . . . 75.05 112.463 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 -88.81 119.54 29.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.895 0.379 . . . . 73.24 110.817 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.76 -176.51 19.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 64.11 112.524 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -157.37 155.33 30.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.838 0.351 . . . . 74.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 46.8 t -106.22 108.87 20.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 65.11 110.885 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -126.33 105.24 8.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 74.01 110.893 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.04 -159.65 49.38 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.647 -0.787 . . . . 75.55 112.493 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -12.09 32.19 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.701 2.267 . . . . 73.33 112.363 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -117.37 138.9 51.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.912 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 t -82.38 117.47 22.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 63.41 110.918 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.7 mt -105.41 115.6 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 72.45 110.878 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 35.8 m -73.09 104.86 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 72.33 110.932 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 65.3 110.849 -179.931 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.822 0.344 . . . . 74.14 110.871 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.9 t -80.43 -35.59 34.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 75.25 110.872 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.6 ptm -163.23 154.69 14.75 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 74.12 110.88 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 128.13 15.6 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.753 2.302 . . . . 72.3 112.322 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.07 168.74 8.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 74.2 110.857 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -145.57 120.57 10.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 73.55 110.809 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.9 p -67.19 -35.85 80.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 73.14 111.083 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.6 t -72.97 -23.05 60.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.323 -0.399 . . . . 74.13 111.146 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -88.13 132.51 34.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 61.42 110.922 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.1 m80 -94.13 -35.56 12.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 74.25 110.822 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.29 -15.19 56.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 74.14 110.884 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.1 tpt -63.16 -42.51 99.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 73.4 110.863 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.73 -35.16 42.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 65.44 111.033 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -51.85 -51.59 55.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.412 . . . . 73.14 110.904 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -68.16 -41.65 81.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 65.25 110.905 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.1 t -50.59 -36.03 32.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 65.44 110.835 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -76.3 -37.27 57.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.901 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.09 -50.9 66.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 73.15 110.927 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -53.59 -35.49 60.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.94 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.0 m -72.26 -27.33 62.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 71.44 110.877 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 159.87 -72.47 0.22 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 71.21 112.454 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -143.3 174.65 23.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.727 . . . . 73.32 112.539 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.38 122.58 12.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.804 0.335 . . . . 72.33 110.916 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.43 -20.44 50.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 75.05 112.521 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.0 mtt180 -84.27 119.09 24.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 73.24 110.919 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.92 -173.66 16.94 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.753 -0.737 . . . . 64.11 112.527 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -157.33 158.59 36.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 74.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 t -107.58 108.79 20.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 65.11 110.902 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -126.61 115.13 19.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 74.01 110.88 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.28 -158.9 53.76 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.694 -0.765 . . . . 75.55 112.45 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -13.75 34.97 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.656 2.237 . . . . 73.33 112.31 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -112.96 165.55 12.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 72.22 110.896 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.0 t -103.97 116.32 32.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 63.41 110.956 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.0 mt -104.53 119.43 38.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 72.45 110.929 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.6 m -77.32 105.7 8.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 72.33 110.937 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 65.3 110.858 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.817 0.341 . . . . 74.14 110.904 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.1 t -81.59 -35.26 30.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 75.25 110.934 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.8 ptm -167.3 154.89 8.46 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.611 0.719 . . . . 74.12 110.835 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 128.11 15.54 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 72.3 112.34 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.56 170.05 8.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 74.2 110.932 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -145.35 125.5 13.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 73.55 110.935 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.5 p -73.64 -35.45 65.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 73.14 111.137 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.6 t -72.43 -22.95 61.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 74.13 111.138 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -88.07 134.41 33.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 61.42 110.807 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -94.08 -35.9 12.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 74.25 110.87 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -81.36 -15.18 56.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 74.14 110.929 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.2 tpt -64.76 -36.1 83.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 73.4 110.881 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.15 -35.74 60.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 65.44 111.082 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -58.77 -59.11 5.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.835 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.04 -43.06 73.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 65.25 110.887 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.4 t -51.3 -49.3 61.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.293 -0.412 . . . . 65.44 110.869 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -68.0 -35.41 78.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.956 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.61 -52.46 65.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 73.15 110.897 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.0 t -53.88 -35.69 61.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 74.32 110.871 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.5 m -68.58 -27.42 66.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 71.44 110.954 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.12 -71.97 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.708 -0.758 . . . . 71.21 112.454 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.51 172.16 30.29 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.706 -0.759 . . . . 73.32 112.447 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -51.87 118.97 3.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 72.33 110.873 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.61 -20.35 42.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.794 -0.717 . . . . 75.05 112.497 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -92.73 120.08 32.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 73.24 110.847 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.27 -178.26 17.68 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.733 -0.746 . . . . 64.11 112.497 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.39 154.09 28.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 74.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.2 t -104.65 108.92 20.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 65.11 110.924 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -127.33 111.14 13.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 74.01 110.926 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.31 -158.17 51.58 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.713 -0.756 . . . . 75.55 112.448 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -18.99 36.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 73.33 112.326 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -110.49 160.27 16.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 72.22 110.908 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.7 t -98.69 118.89 36.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 63.41 110.881 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.8 mt -106.32 124.98 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 72.45 110.851 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.7 m -85.58 134.5 34.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 72.33 110.927 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 ptp85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 65.3 110.857 -179.906 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.821 0.343 . . . . 61.140000000000001 110.895 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.5 t -80.67 -35.73 33.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 65.219999999999999 110.849 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.3 ptm -161.6 154.72 17.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 74.120000000000005 110.871 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.404 ' O ' ' HE2' ' A' ' 12' ' ' MET . 53.7 Cg_endo -69.75 128.14 15.61 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.701 2.267 . . . . 51.450000000000003 112.338 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.57 169.63 8.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 74.200000000000003 110.871 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -145.43 111.06 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 63.399999999999999 110.872 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.5 p -59.38 -35.53 74.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 73.140000000000001 111.125 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -72.5 -22.94 60.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 64.450000000000003 111.125 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -89.1 132.82 34.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 61.420000000000002 110.864 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -94.15 -35.66 12.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 72.530000000000001 110.85 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -81.31 -15.23 56.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 74.140000000000001 110.907 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.404 ' HE2' ' O ' ' A' ' 4' ' ' PRO . 9.7 tpt -63.58 -41.03 98.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 45.43 110.895 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.7 -35.37 42.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 65.439999999999998 111.134 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.9 ttp85 -52.06 -50.7 61.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 73.140000000000001 110.869 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -69.1 -40.96 78.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 62.520000000000003 110.845 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.8 t -50.38 -40.54 49.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 44.119999999999997 110.881 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -74.92 -36.58 62.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 74.329999999999998 110.825 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -63.05 -50.17 71.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 73.150000000000006 110.906 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 t -53.86 -35.19 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 74.319999999999993 110.898 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.9 m -70.94 -27.32 63.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 71.439999999999998 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.03 -71.84 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 71.209999999999994 112.472 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.74 172.44 30.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 73.319999999999993 112.448 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -52.06 118.83 3.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 72.329999999999998 110.945 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.71 -20.5 41.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 75.049999999999997 112.449 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.6 mtt-85 -93.03 119.77 32.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.39 . . . . 73.239999999999995 110.847 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.77 -179.94 18.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 24.32 112.49 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -157.37 151.88 25.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 61.25 110.855 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.2 t -105.07 108.93 20.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 65.109999999999999 110.856 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.421 ' HB2' HD12 ' A' ' 34' ' ' LEU . 53.2 m-85 -125.92 107.37 10.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 74.010000000000005 110.91 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.79 -157.46 47.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 75.549999999999997 112.483 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -20.13 35.09 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 73.329999999999998 112.368 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -110.73 148.66 31.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 72.219999999999999 110.96 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.3 t -89.16 118.93 29.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 45.109999999999999 110.858 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.421 HD12 ' HB2' ' A' ' 29' ' ' TYR . 18.5 mt -106.35 118.98 38.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.467 . . . . 70.219999999999999 110.9 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.3 m -77.73 122.11 24.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 55.399999999999999 110.842 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 65.299999999999997 110.902 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 ptm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.846 0.355 . . . . 61.140000000000001 110.85 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.2 t -52.04 -35.94 48.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 65.219999999999999 110.856 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.6 ptm -161.81 154.83 17.35 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.578 0.704 . . . . 74.120000000000005 110.831 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 128.2 15.67 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 51.450000000000003 112.305 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.01 169.92 8.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 74.200000000000003 110.822 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -145.53 142.31 29.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 63.399999999999999 110.862 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.9 p -85.9 -36.11 20.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 73.140000000000001 111.165 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.413 HG23 ' OD2' ' A' ' 9' ' ' ASP . 8.9 t -75.4 -23.03 57.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 64.450000000000003 111.037 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.413 ' OD2' HG23 ' A' ' 8' ' ' THR . 1.2 m-20 -85.06 131.62 34.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 61.420000000000002 110.902 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -94.01 -36.05 12.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 72.530000000000001 110.901 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -81.36 -15.23 55.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.140000000000001 110.911 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.0 tpt -63.91 -40.53 96.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 45.43 110.911 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.76 -38.82 57.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 65.439999999999998 111.133 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -55.96 24.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 73.140000000000001 110.885 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -59.27 -42.39 91.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 62.520000000000003 110.833 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.0 t -50.76 -44.97 58.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 44.119999999999997 110.858 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -71.61 -36.86 70.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 74.329999999999998 110.865 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.37 -50.65 70.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 73.150000000000006 110.853 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.6 t -53.89 -35.87 62.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.319999999999993 110.939 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.1 m -67.92 -27.43 66.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 71.439999999999998 110.857 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.67 -65.68 0.2 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 71.209999999999994 112.494 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.71 -162.84 10.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 73.319999999999993 112.481 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -76.5 116.99 17.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.352 . . . . 72.329999999999998 110.916 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.57 -20.45 41.91 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.835 -0.698 . . . . 75.049999999999997 112.529 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.9 mtt-85 -88.3 119.89 29.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.839 0.352 . . . . 73.239999999999995 110.867 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.01 -178.48 17.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.792 -0.718 . . . . 24.32 112.455 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.34 153.49 27.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.866 0.365 . . . . 61.25 110.883 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.5 t -105.28 108.89 20.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 65.109999999999999 110.859 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -127.76 108.29 10.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 74.010000000000005 110.912 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.23 -158.36 49.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.657 -0.782 . . . . 75.549999999999997 112.531 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.59 -19.86 36.38 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.715 2.276 . . . . 73.329999999999998 112.408 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -110.31 151.08 27.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 72.219999999999999 110.988 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.7 t -90.95 118.13 30.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 45.109999999999999 110.855 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.5 mt -103.98 121.78 43.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 70.219999999999999 110.95 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.2 m -85.58 128.49 34.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 55.399999999999999 110.872 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 65.299999999999997 110.876 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.816 0.341 . . . . 61.140000000000001 110.892 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.5 t -65.65 -35.42 80.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 65.219999999999999 110.876 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.4 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.3 ptm -162.67 154.82 15.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.587 0.708 . . . . 74.120000000000005 110.86 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 53.4 Cg_endo -69.78 128.25 15.74 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.649 2.233 . . . . 51.450000000000003 112.32 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.89 169.63 8.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.200000000000003 110.908 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -145.51 128.25 16.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 63.399999999999999 110.87 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.2 p -73.86 -35.59 64.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 73.140000000000001 111.155 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -73.57 -22.93 59.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 64.450000000000003 111.089 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -88.0 132.33 34.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 61.420000000000002 110.856 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -94.15 -35.28 12.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 72.530000000000001 110.855 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -81.26 -15.24 56.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 74.140000000000001 110.863 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.7 tpt -64.07 -40.24 95.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 45.43 110.956 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.18 -35.46 49.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 65.439999999999998 111.134 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.81 -56.58 17.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.140000000000001 110.931 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -60.77 -41.77 96.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 62.520000000000003 110.898 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.0 t -50.49 -41.66 53.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 44.119999999999997 110.9 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -73.83 -36.42 64.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 74.329999999999998 110.866 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.71 -50.6 70.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 73.150000000000006 110.837 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 t -53.9 -35.26 61.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 74.319999999999993 110.889 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.2 m -70.28 -27.41 64.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 71.439999999999998 110.899 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.1 -71.87 0.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 71.209999999999994 112.466 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.74 172.18 30.46 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 73.319999999999993 112.498 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -51.79 118.9 3.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.332 . . . . 72.329999999999998 110.865 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.59 -20.51 41.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 75.049999999999997 112.524 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -92.83 119.58 32.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 73.239999999999995 110.887 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.9 179.92 18.09 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.752 -0.737 . . . . 24.32 112.457 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -157.34 152.16 25.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.368 . . . . 61.25 110.879 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.3 t -104.35 108.75 20.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 65.109999999999999 110.854 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.427 ' HB2' HD12 ' A' ' 34' ' ' LEU . 53.4 m-85 -125.8 107.13 10.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 74.010000000000005 111.016 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.43 -157.47 47.93 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.792 -0.718 . . . . 75.549999999999997 112.542 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 -19.91 35.48 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.729 2.286 . . . . 73.329999999999998 112.343 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -110.59 150.03 29.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 72.219999999999999 110.903 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.9 t -90.45 119.56 30.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 45.109999999999999 110.83 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.427 HD12 ' HB2' ' A' ' 29' ' ' TYR . 18.4 mt -107.64 120.44 42.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 70.219999999999999 110.887 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 28.7 m -80.42 152.02 29.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 55.399999999999999 110.86 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 65.299999999999997 110.894 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 ptm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.854 0.359 . . . . 61.140000000000001 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.2 t -52.58 -35.85 54.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 65.219999999999999 110.847 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.4 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.6 ptm -162.32 154.66 16.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.644 0.735 . . . . 74.120000000000005 110.82 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 53.3 Cg_endo -69.76 128.17 15.65 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.723 2.282 . . . . 51.450000000000003 112.322 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.39 170.49 8.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 74.200000000000003 110.855 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -145.56 123.07 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 63.399999999999999 110.851 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.0 p -71.06 -35.72 72.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 73.140000000000001 111.124 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.51 HG23 ' OD2' ' A' ' 9' ' ' ASP . 9.9 t -74.1 -22.91 59.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.214 -0.448 . . . . 64.450000000000003 111.157 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.51 ' OD2' HG23 ' A' ' 8' ' ' THR . 32.9 m-20 -89.24 132.82 34.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 61.420000000000002 110.873 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -94.17 -35.49 12.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 72.530000000000001 110.821 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -81.3 -15.2 56.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 74.140000000000001 110.902 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.3 tpt -63.37 -41.66 98.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 45.43 110.835 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.78 -35.23 61.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 65.439999999999998 111.077 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -46.1 64.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 73.140000000000001 110.938 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -74.51 -39.63 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 62.520000000000003 110.948 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 t -50.55 -44.16 56.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 44.119999999999997 110.843 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -72.6 -36.34 68.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.329999999999998 110.83 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -62.6 -50.92 69.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 73.150000000000006 110.897 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.7 t -54.03 -35.12 61.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 74.319999999999993 110.887 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 92.8 m -69.77 -27.4 64.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 71.439999999999998 110.885 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.94 -71.53 0.19 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 71.209999999999994 112.464 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.75 172.12 30.48 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 73.319999999999993 112.53 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -52.05 118.86 3.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.34 . . . . 72.329999999999998 110.909 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.57 -20.44 41.94 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.709 -0.758 . . . . 75.049999999999997 112.449 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -92.25 119.08 31.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 73.239999999999995 110.858 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.11 169.44 17.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 24.32 112.456 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -144.24 157.81 44.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 61.25 110.908 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.4 t -110.25 108.81 19.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 65.109999999999999 110.868 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -130.28 106.8 8.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 74.010000000000005 110.98 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.05 -160.86 41.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 75.549999999999997 112.486 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -19.06 36.5 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.735 2.29 . . . . 73.329999999999998 112.343 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -111.95 149.56 31.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 72.219999999999999 110.892 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.1 t -88.19 123.7 33.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 45.109999999999999 110.856 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.8 mt -109.24 120.4 42.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 70.219999999999999 110.931 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.7 m -82.56 152.03 26.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 55.399999999999999 110.872 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 65.299999999999997 110.9 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.834 0.349 . . . . 61.140000000000001 110.833 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.5 t -74.67 -35.49 62.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 65.219999999999999 110.922 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.1 ptm -161.66 154.37 17.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.525 0.679 . . . . 74.120000000000005 110.927 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 128.18 15.75 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.709 2.273 . . . . 51.450000000000003 112.33 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.75 169.63 8.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.200000000000003 110.891 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -145.43 132.92 20.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 63.399999999999999 110.846 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 59.3 p -77.02 -35.77 56.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 73.140000000000001 111.129 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.0 t -72.68 -22.98 60.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 64.450000000000003 111.152 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.14 131.61 35.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 61.420000000000002 110.822 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -94.24 -34.95 12.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 72.530000000000001 110.841 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -81.24 -15.14 56.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 74.140000000000001 110.97 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.6 tpt -61.49 -41.82 97.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 45.43 110.901 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.21 -35.86 50.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 65.439999999999998 111.097 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.21 -50.05 62.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 73.140000000000001 110.912 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -68.93 -41.43 78.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 62.520000000000003 110.955 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.2 t -50.4 -36.09 31.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 44.119999999999997 110.885 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -78.2 -36.04 47.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 74.329999999999998 110.957 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -63.98 -49.95 70.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 73.150000000000006 110.911 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 t -53.82 -34.93 60.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 74.319999999999993 110.876 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 96.9 m -71.63 -27.46 63.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 71.439999999999998 110.876 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.6 -71.41 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 71.209999999999994 112.477 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.72 171.82 30.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.809 -0.71 . . . . 73.319999999999993 112.514 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 118.86 3.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.807 0.337 . . . . 72.329999999999998 110.909 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.5 -20.42 42.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.682 -0.77 . . . . 75.049999999999997 112.478 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -92.08 119.32 31.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 73.239999999999995 110.858 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.28 -179.75 19.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.796 -0.716 . . . . 24.32 112.555 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.31 152.43 25.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 61.25 110.882 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 46.0 t -104.5 108.65 20.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 65.109999999999999 110.843 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.428 ' HB2' HD12 ' A' ' 34' ' ' LEU . 44.6 m-85 -122.23 104.91 9.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 74.010000000000005 110.957 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.96 -156.81 46.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 75.549999999999997 112.54 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -19.58 35.83 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 73.329999999999998 112.353 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -111.37 143.86 41.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 72.219999999999999 110.989 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.5 t -85.5 124.03 31.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 45.109999999999999 110.907 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.428 HD12 ' HB2' ' A' ' 29' ' ' TYR . 9.6 mt -116.8 116.73 28.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 70.219999999999999 110.928 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.9 m -70.94 120.28 16.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 55.399999999999999 110.866 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 65.299999999999997 110.921 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.737 0.303 . . . . 61.140000000000001 110.885 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.9 t -72.93 -37.06 67.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 65.219999999999999 110.974 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.0 ptm -160.61 154.83 19.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.517 0.675 . . . . 74.120000000000005 110.939 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 128.18 15.59 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.685 2.257 . . . . 51.450000000000003 112.349 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.71 168.36 9.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 74.200000000000003 110.906 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -145.43 120.77 10.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 63.399999999999999 110.951 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.3 p -67.32 -36.16 80.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 73.140000000000001 111.175 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.545 HG23 ' OD2' ' A' ' 9' ' ' ASP . 10.1 t -72.99 -22.97 60.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 64.450000000000003 111.189 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.545 ' OD2' HG23 ' A' ' 8' ' ' THR . 26.4 m-20 -88.08 132.19 34.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 61.420000000000002 110.849 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -93.97 -35.93 12.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 72.530000000000001 110.946 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -81.39 -15.17 56.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 74.140000000000001 110.952 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.4 tpt -64.46 -42.61 95.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 45.43 110.856 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.68 -35.43 42.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 65.439999999999998 111.02 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -51.9 -53.46 40.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 73.140000000000001 110.86 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt -65.36 -41.95 93.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 62.520000000000003 110.881 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.8 t -50.23 -35.82 28.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 44.119999999999997 110.899 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.37 -37.76 51.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 74.329999999999998 110.845 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -64.55 -49.16 72.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 73.150000000000006 110.838 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 t -53.56 -35.64 61.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 74.319999999999993 110.843 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 97.9 m -72.71 -27.48 62.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 71.439999999999998 110.884 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.63 -71.86 0.19 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.727 -0.749 . . . . 71.209999999999994 112.503 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.75 172.27 30.46 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.743 -0.741 . . . . 73.319999999999993 112.513 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -51.82 118.86 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 72.329999999999998 110.971 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.59 -20.43 41.94 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.736 -0.745 . . . . 75.049999999999997 112.514 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -92.5 119.02 31.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 73.239999999999995 110.862 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.11 169.72 17.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 24.32 112.465 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -144.25 158.24 43.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.772 0.32 . . . . 61.25 110.881 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 38.5 t -110.2 108.8 19.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 65.109999999999999 110.923 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.4 ' HB2' HD12 ' A' ' 34' ' ' LEU . 47.2 m-85 -130.14 109.09 10.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 74.010000000000005 110.917 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.37 -161.28 42.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 75.549999999999997 112.498 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -18.41 37.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 73.329999999999998 112.37 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -114.23 149.23 36.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 72.219999999999999 110.927 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.8 t -85.72 126.99 34.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 45.109999999999999 110.908 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' A' ' 29' ' ' TYR . 13.6 mt -114.06 119.98 39.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 70.219999999999999 110.922 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.0 m -79.01 151.99 31.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 55.399999999999999 110.857 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 65.299999999999997 110.91 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ptt? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.806 0.336 . . . . 61.140000000000001 110.87 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.3 t -82.96 -36.62 24.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 65.219999999999999 110.914 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.4 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.4 ptm -160.9 154.75 18.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 74.120000000000005 110.871 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 53.9 Cg_endo -69.72 128.23 15.76 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.693 2.262 . . . . 51.450000000000003 112.36 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.88 168.9 8.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 74.200000000000003 110.89 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -145.51 118.92 9.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 63.399999999999999 110.848 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.7 p -65.91 -35.76 81.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 73.140000000000001 111.137 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.545 HG23 ' OD2' ' A' ' 9' ' ' ASP . 15.2 t -73.11 -23.0 60.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 64.450000000000003 111.149 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.545 ' OD2' HG23 ' A' ' 8' ' ' THR . 34.1 m-20 -88.53 132.54 34.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.284 -0.416 . . . . 61.420000000000002 110.853 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -94.12 -35.9 12.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 72.530000000000001 110.871 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -81.35 -15.28 55.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 74.140000000000001 110.91 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.5 tpt -64.15 -42.91 96.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 45.43 110.845 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.67 -35.23 41.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 65.439999999999998 111.101 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -51.9 -51.34 57.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.140000000000001 110.88 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -67.66 -41.53 83.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 62.520000000000003 110.986 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 t -50.35 -35.84 29.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 44.119999999999997 110.892 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -77.3 -37.86 51.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 74.329999999999998 110.859 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -63.91 -49.34 73.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 73.150000000000006 110.903 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.4 t -53.55 -35.58 60.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 74.319999999999993 110.95 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.0 m -72.34 -27.36 62.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 71.439999999999998 110.907 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.88 -72.09 0.18 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.778 -0.725 . . . . 71.209999999999994 112.467 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.73 172.39 30.44 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 73.319999999999993 112.483 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -51.81 118.96 3.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.845 0.355 . . . . 72.329999999999998 110.839 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.62 -20.51 41.63 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.736 -0.745 . . . . 75.049999999999997 112.499 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -92.74 119.05 31.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 73.239999999999995 110.862 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.33 169.72 17.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 24.32 112.531 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -144.78 156.43 44.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 61.25 110.87 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.2 t -108.93 108.89 19.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 65.109999999999999 110.938 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.443 ' HB2' HD12 ' A' ' 34' ' ' LEU . 53.4 m-85 -129.5 109.89 11.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 74.010000000000005 110.941 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.4 -160.82 46.15 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 75.549999999999997 112.445 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -18.85 37.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.713 2.276 . . . . 73.329999999999998 112.378 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -113.59 148.4 36.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 72.219999999999999 110.896 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.7 t -85.9 127.25 34.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 45.109999999999999 110.873 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.443 HD12 ' HB2' ' A' ' 29' ' ' TYR . 17.8 mt -114.19 119.61 37.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 70.219999999999999 110.928 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.0 m -78.33 152.02 32.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 55.399999999999999 110.897 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 65.299999999999997 110.894 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ppp? . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.812 0.339 . . . . 61.140000000000001 110.838 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.7 t -83.89 -35.33 24.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 65.219999999999999 110.844 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.1 ptm -163.38 154.77 14.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.733 . . . . 74.120000000000005 110.877 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 128.05 15.46 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.682 2.255 . . . . 51.450000000000003 112.375 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.22 169.7 8.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 74.200000000000003 110.9 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -145.44 113.47 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 63.399999999999999 110.817 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.3 p -61.05 -35.72 77.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 73.140000000000001 111.145 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.577 HG23 ' OD2' ' A' ' 9' ' ' ASP . 11.7 t -72.37 -23.09 61.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 64.450000000000003 111.105 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.577 ' OD2' HG23 ' A' ' 8' ' ' THR . 28.0 m-20 -88.83 132.83 34.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 61.420000000000002 110.92 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -94.15 -35.77 12.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 72.530000000000001 110.851 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -81.33 -15.25 55.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 74.140000000000001 110.972 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.5 tpt -63.35 -41.73 98.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 45.43 110.885 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.66 -35.25 41.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 65.439999999999998 111.111 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -49.07 63.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 73.140000000000001 110.948 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -70.15 -41.83 73.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 62.520000000000003 110.902 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.2 t -50.55 -37.39 39.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 44.119999999999997 110.811 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -76.13 -36.82 58.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 74.329999999999998 110.83 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.61 -49.74 72.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 73.150000000000006 110.928 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -53.66 -35.5 61.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 74.319999999999993 110.896 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.1 m -71.61 -27.53 63.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.439999999999998 110.946 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.02 -72.12 0.18 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 71.209999999999994 112.478 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.68 172.38 30.4 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.687 -0.768 . . . . 73.319999999999993 112.425 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 118.92 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 72.329999999999998 110.948 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.67 -20.47 41.62 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 75.049999999999997 112.441 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -93.09 119.66 32.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 73.239999999999995 110.89 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.08 -179.89 17.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 24.32 112.482 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.34 151.51 24.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 61.25 110.908 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.0 t -104.46 108.66 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 65.109999999999999 110.889 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -124.33 107.86 11.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 74.010000000000005 110.921 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.51 -156.72 48.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 75.549999999999997 112.481 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -20.15 35.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.613 2.209 . . . . 73.329999999999998 112.36 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -109.74 153.4 24.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 72.219999999999999 110.938 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.9 t -94.06 119.18 32.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 45.109999999999999 110.836 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.7 mt -108.52 120.21 41.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 70.219999999999999 110.912 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 31.9 m -78.51 152.02 32.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 55.399999999999999 110.961 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 65.299999999999997 110.867 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ptm . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.86 0.362 . . . . 61.140000000000001 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.6 t -79.1 -35.61 42.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 65.219999999999999 110.862 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.4 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.0 ptm -161.73 154.74 17.4 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.56 0.695 . . . . 74.120000000000005 110.853 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 53.9 Cg_endo -69.74 128.28 15.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.744 2.296 . . . . 51.450000000000003 112.319 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.48 171.52 7.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.200000000000003 110.83 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -145.51 127.22 15.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 63.399999999999999 110.83 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.9 p -73.77 -35.51 64.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 73.140000000000001 111.159 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.7 t -74.87 -22.98 58.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 64.450000000000003 111.145 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -90.57 131.25 36.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 61.420000000000002 110.864 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -94.31 -32.38 13.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 72.530000000000001 110.829 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -80.92 -15.11 57.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 74.140000000000001 110.856 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.0 tpt -64.96 -42.29 94.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 45.43 110.87 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.73 -35.35 42.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 65.439999999999998 111.113 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -51.86 -50.9 60.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -69.92 -39.25 76.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 62.520000000000003 110.881 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.0 t -50.57 -43.23 56.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 44.119999999999997 110.923 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -72.54 -36.95 68.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 74.329999999999998 110.872 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.55 -50.65 70.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.150000000000006 110.867 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.7 t -53.88 -35.43 61.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 74.319999999999993 110.893 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.7 m -70.08 -27.51 64.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 71.439999999999998 110.881 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.82 -71.78 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 71.209999999999994 112.503 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.7 172.12 30.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.732 -0.747 . . . . 73.319999999999993 112.44 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -51.83 118.85 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 72.329999999999998 110.976 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.62 -20.48 41.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 75.049999999999997 112.536 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -92.79 119.77 32.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.357 . . . . 73.239999999999995 110.889 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.21 -179.93 18.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.785 -0.721 . . . . 24.32 112.521 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.4 152.74 26.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.816 0.341 . . . . 61.25 110.961 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.8 t -104.29 108.89 20.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 65.109999999999999 110.929 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -127.11 108.34 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 74.010000000000005 110.919 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.22 -157.77 48.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.707 -0.759 . . . . 75.549999999999997 112.579 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -19.62 35.87 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.761 2.307 . . . . 73.329999999999998 112.36 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -110.97 152.52 26.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 72.219999999999999 110.893 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.9 t -92.02 118.54 30.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 45.109999999999999 110.862 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.0 mt -105.27 121.07 43.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 70.219999999999999 110.871 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.4 m -82.49 151.98 26.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 55.399999999999999 110.964 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 65.299999999999997 110.927 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ptm . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.856 0.36 . . . . 61.140000000000001 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 14.8 t -64.18 -36.42 84.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 65.219999999999999 110.859 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.8 ptm -161.76 154.52 17.09 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.711 . . . . 74.120000000000005 110.869 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 128.31 15.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.649 2.233 . . . . 51.450000000000003 112.365 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.7 169.93 8.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 74.200000000000003 110.834 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -145.61 115.12 7.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 63.399999999999999 110.887 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.8 p -63.0 -35.53 80.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 73.140000000000001 111.15 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.579 HG23 ' OD2' ' A' ' 9' ' ' ASP . 11.3 t -73.33 -23.05 60.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 64.450000000000003 111.091 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.579 ' OD2' HG23 ' A' ' 8' ' ' THR . 26.8 m-20 -88.68 132.8 34.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 61.420000000000002 110.909 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -94.21 -35.81 12.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 72.530000000000001 110.85 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -81.38 -15.24 55.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 74.140000000000001 110.89 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.2 tpt -64.51 -42.46 95.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 45.43 110.867 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.51 -35.38 40.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 65.439999999999998 111.134 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -52.05 -50.57 61.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 73.140000000000001 110.864 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -69.65 -39.43 77.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 62.520000000000003 110.878 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 t -50.45 -44.01 55.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 44.119999999999997 110.858 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -72.99 -36.51 67.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 74.329999999999998 110.811 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.37 -51.0 69.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 73.150000000000006 110.857 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 t -53.83 -35.64 61.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 74.319999999999993 110.841 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.2 m -69.6 -27.33 65.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 71.439999999999998 110.853 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.99 -71.85 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.681 -0.771 . . . . 71.209999999999994 112.464 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.71 172.09 30.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.792 -0.718 . . . . 73.319999999999993 112.545 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.8 tttt -51.88 118.88 3.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 72.329999999999998 110.904 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.61 -20.41 41.96 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 75.049999999999997 112.503 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 mtt85 -92.56 119.09 31.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 73.239999999999995 110.946 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.48 172.51 18.23 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 24.32 112.572 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -148.09 155.3 41.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.805 0.336 . . . . 61.25 110.917 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.1 t -107.04 108.77 20.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 65.109999999999999 110.892 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -129.33 110.14 11.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 74.010000000000005 110.959 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.91 -160.19 48.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 75.549999999999997 112.461 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -18.29 36.87 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.676 2.251 . . . . 73.329999999999998 112.346 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -113.48 150.02 33.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 72.219999999999999 110.883 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.9 t -88.29 125.16 34.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 45.109999999999999 110.904 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.3 mt -110.89 121.89 46.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 70.219999999999999 110.922 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.0 m -84.18 126.96 33.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 55.399999999999999 110.972 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 65.299999999999997 110.878 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.894 0.378 . . . . 61.140000000000001 110.907 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.4 t -77.58 -36.02 52.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 65.219999999999999 110.841 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.0 ptm -162.2 154.45 16.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.529 0.681 . . . . 74.120000000000005 110.927 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 128.38 15.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.266 . . . . 51.450000000000003 112.34 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.73 168.78 9.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 74.200000000000003 110.899 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -145.51 117.78 8.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 63.399999999999999 110.903 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.5 t -64.39 -36.12 83.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 73.140000000000001 111.099 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.562 HG23 ' OD2' ' A' ' 9' ' ' ASP . 11.5 t -72.27 -22.22 61.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 64.450000000000003 111.11 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.562 ' OD2' HG23 ' A' ' 8' ' ' THR . 24.8 m-20 -88.65 132.4 34.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 61.420000000000002 110.877 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -94.04 -35.85 12.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 72.530000000000001 110.805 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -81.3 -15.22 56.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.140000000000001 110.877 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.1 tpt -65.7 -38.72 90.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 45.43 110.833 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.15 -35.6 49.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 65.439999999999998 111.058 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -55.76 28.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 73.140000000000001 110.813 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -61.44 -41.43 97.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 62.520000000000003 110.887 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.9 t -50.5 -45.93 56.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 44.119999999999997 110.889 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -71.86 -37.31 70.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 74.329999999999998 110.904 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.33 -51.36 69.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 73.150000000000006 110.883 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 t -53.77 -36.34 62.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 74.319999999999993 110.893 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 95.2 m -67.82 -27.34 66.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 71.439999999999998 110.903 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.69 -68.39 0.2 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 71.209999999999994 112.466 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.78 -169.26 15.34 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.721 -0.752 . . . . 73.319999999999993 112.448 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -69.97 116.71 10.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.793 0.33 . . . . 72.329999999999998 110.94 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.09 -20.5 42.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 75.049999999999997 112.46 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.65 119.98 27.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 73.239999999999995 110.892 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.95 -176.99 17.98 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.687 -0.768 . . . . 24.32 112.446 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.38 154.58 29.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 61.25 110.885 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.8 t -106.75 108.74 20.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 65.109999999999999 110.905 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -128.73 109.78 11.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 74.010000000000005 110.889 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.01 -159.96 47.86 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 75.549999999999997 112.501 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -18.56 36.89 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.675 2.25 . . . . 73.329999999999998 112.399 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -113.54 147.7 37.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 72.219999999999999 110.876 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.4 t -85.33 121.61 28.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 45.109999999999999 110.927 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.2 mt -108.26 117.66 34.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 70.219999999999999 110.97 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.1 m -79.54 119.99 23.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 55.399999999999999 110.914 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 65.299999999999997 110.933 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ptm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.848 0.356 . . . . 61.140000000000001 110.92 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.4 t -51.96 -35.56 46.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 65.219999999999999 110.903 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.4 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 19.0 ptm -161.99 154.62 16.81 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.574 0.702 . . . . 74.120000000000005 110.798 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 53.7 Cg_endo -69.77 128.24 15.73 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.689 2.26 . . . . 51.450000000000003 112.325 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.54 169.6 8.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.200000000000003 110.87 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -145.47 121.39 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 63.399999999999999 110.839 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.2 t -68.56 -35.98 78.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 73.140000000000001 111.131 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.619 HG23 ' OD2' ' A' ' 9' ' ' ASP . 6.3 t -72.29 -22.21 61.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 64.450000000000003 111.183 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.619 ' OD2' HG23 ' A' ' 8' ' ' THR . 1.0 OUTLIER -90.32 132.44 35.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 61.420000000000002 110.816 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -94.28 -35.41 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 72.530000000000001 110.847 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -81.27 -15.19 56.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 74.140000000000001 110.925 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.7 tpt -63.12 -41.7 99.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 45.43 110.894 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.52 -35.57 41.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 65.439999999999998 111.109 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -52.41 -50.19 63.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 73.140000000000001 110.933 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -69.76 -39.93 76.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 62.520000000000003 110.815 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.8 t -50.53 -45.5 56.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 44.119999999999997 110.877 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -71.44 -37.1 71.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.329999999999998 110.874 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -61.44 -51.31 69.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 73.150000000000006 110.898 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.9 t -53.85 -35.61 61.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 74.319999999999993 110.918 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 88.3 m -68.87 -27.37 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 71.439999999999998 110.917 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.96 -71.78 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 71.209999999999994 112.488 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.72 172.18 30.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 73.319999999999993 112.529 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -51.91 118.77 3.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.853 0.359 . . . . 72.329999999999998 110.901 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.73 -20.53 41.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 75.049999999999997 112.408 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -92.73 119.73 32.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 73.239999999999995 110.862 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.51 179.6 18.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 24.32 112.448 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -157.32 152.56 26.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 61.25 110.886 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.1 t -103.99 108.91 20.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 65.109999999999999 110.865 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -127.85 107.88 10.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 74.010000000000005 110.908 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.45 -157.99 48.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 75.549999999999997 112.46 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -19.91 35.54 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.699 2.266 . . . . 73.329999999999998 112.296 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -110.63 151.17 27.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 72.219999999999999 110.929 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.1 t -90.86 118.16 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 45.109999999999999 110.904 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 mt -103.66 120.88 41.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 70.219999999999999 110.961 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.9 m -83.42 151.69 25.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 55.399999999999999 110.869 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 65.299999999999997 110.83 -179.913 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.899 0.38 . . . . 61.140000000000001 110.873 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.1 t -80.45 -35.32 35.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 65.219999999999999 110.871 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.402 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.3 ptm -162.28 154.96 16.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.544 0.688 . . . . 74.120000000000005 110.92 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 53.6 Cg_endo -69.7 128.08 15.57 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.744 2.296 . . . . 51.450000000000003 112.299 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.69 168.65 8.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 74.200000000000003 110.843 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -145.54 112.98 6.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 63.399999999999999 110.866 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.7 p -60.77 -35.52 76.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 73.140000000000001 111.166 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.465 HG23 ' OD2' ' A' ' 9' ' ' ASP . 9.0 t -72.48 -23.05 60.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 64.450000000000003 111.105 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.465 ' OD2' HG23 ' A' ' 8' ' ' THR . 46.8 m-20 -88.49 133.73 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 61.420000000000002 110.866 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -94.19 -35.82 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.530000000000001 110.831 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -81.4 -15.24 55.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 74.140000000000001 110.916 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.2 tpt -64.76 -42.14 95.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 45.43 110.821 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.68 -35.48 42.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.293 -0.412 . . . . 65.439999999999998 111.097 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -53.22 -53.83 44.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 73.140000000000001 110.852 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -65.2 -40.69 94.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 62.520000000000003 110.902 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t -50.48 -42.73 54.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 44.119999999999997 110.914 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -72.34 -36.31 68.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 74.329999999999998 110.845 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -63.16 -50.3 70.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 73.150000000000006 110.86 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.9 t -53.87 -35.04 61.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 74.319999999999993 110.893 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 88.8 m -70.98 -27.47 63.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 71.439999999999998 110.845 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.08 -71.93 0.18 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.751 . . . . 71.209999999999994 112.454 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.62 172.26 30.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 73.319999999999993 112.471 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -51.86 118.84 3.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 72.329999999999998 110.916 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.64 -20.41 41.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 75.049999999999997 112.468 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -92.99 119.59 32.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.346 . . . . 73.239999999999995 110.889 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.31 -179.65 17.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.766 . . . . 24.32 112.393 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -157.28 152.55 26.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 61.25 110.912 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.2 t -104.56 108.85 20.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 65.109999999999999 110.857 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.402 ' HB2' HD12 ' A' ' 34' ' ' LEU . 59.0 m-85 -126.81 109.9 12.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 74.010000000000005 110.949 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.64 -157.52 50.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.814 -0.708 . . . . 75.549999999999997 112.409 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -19.42 36.37 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.271 . . . . 73.329999999999998 112.369 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -109.88 157.26 19.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 72.219999999999999 110.956 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.5 t -96.85 116.34 29.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 45.109999999999999 110.881 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.402 HD12 ' HB2' ' A' ' 29' ' ' TYR . 21.7 mt -103.18 121.66 43.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 70.219999999999999 110.874 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 34.3 m -82.36 152.1 26.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 55.399999999999999 110.851 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 65.299999999999997 110.875 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ptt? . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.775 0.322 . . . . 61.140000000000001 110.939 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 21.8 t -77.44 -35.66 53.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 65.219999999999999 110.926 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.2 ptm -161.01 154.93 18.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.573 0.701 . . . . 74.120000000000005 110.891 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 128.12 15.55 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.671 2.248 . . . . 51.450000000000003 112.374 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.49 171.23 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 74.200000000000003 110.819 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -145.44 127.01 15.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 63.399999999999999 110.859 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.1 p -73.24 -35.6 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 73.140000000000001 111.138 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -75.21 -23.06 57.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 64.450000000000003 111.2 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -89.9 130.65 36.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.463 . . . . 61.420000000000002 110.879 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -94.24 -32.36 13.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 72.530000000000001 110.866 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -80.76 -15.17 57.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 74.140000000000001 110.975 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.3 tpt -64.66 -42.46 95.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 45.43 110.943 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.68 -35.49 42.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 65.439999999999998 111.138 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -51.99 -49.65 62.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 73.140000000000001 110.855 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -70.86 -39.75 72.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 62.520000000000003 110.929 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.5 t -50.55 -39.44 49.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 44.119999999999997 110.813 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -75.32 -37.15 60.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 74.329999999999998 110.861 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -63.18 -49.86 72.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 73.150000000000006 110.917 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.7 t -53.81 -35.35 61.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 74.319999999999993 110.916 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 88.6 m -71.3 -27.42 63.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 71.439999999999998 110.924 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.06 -72.06 0.18 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.788 -0.72 . . . . 71.209999999999994 112.471 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.68 172.42 30.39 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.749 -0.738 . . . . 73.319999999999993 112.487 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -51.86 118.84 3.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.794 0.33 . . . . 72.329999999999998 110.926 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.6 -20.43 41.88 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 75.049999999999997 112.548 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -93.07 119.75 32.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.933 0.396 . . . . 73.239999999999995 110.851 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.68 179.77 18.23 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.803 -0.713 . . . . 24.32 112.519 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.34 152.47 25.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 61.25 110.893 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.6 t -104.81 108.81 20.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 65.109999999999999 110.885 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.421 ' HB2' HD12 ' A' ' 34' ' ' LEU . 53.9 m-85 -125.43 106.76 10.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 74.010000000000005 110.926 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.88 -157.3 46.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 75.549999999999997 112.511 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -20.22 34.89 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.686 2.257 . . . . 73.329999999999998 112.333 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -110.84 148.56 32.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 72.219999999999999 110.925 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.9 t -88.94 119.91 29.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 45.109999999999999 110.906 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.421 HD12 ' HB2' ' A' ' 29' ' ' TYR . 17.7 mt -107.75 120.68 42.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 70.219999999999999 110.902 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.5 m -79.68 152.04 30.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 55.399999999999999 110.905 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 65.299999999999997 110.858 -179.937 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.844 0.354 . . . . 61.140000000000001 110.914 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.8 t -82.73 -36.12 26.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 65.219999999999999 110.865 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.5 ptm -161.15 154.42 18.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.556 0.693 . . . . 74.120000000000005 110.865 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 128.28 15.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.616 2.211 . . . . 51.450000000000003 112.359 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.98 169.77 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 74.200000000000003 110.944 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -145.58 120.8 10.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 63.399999999999999 110.855 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -66.08 -35.56 80.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 73.140000000000001 111.158 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -72.19 -22.33 61.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 64.450000000000003 111.196 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -90.16 132.01 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 61.420000000000002 110.925 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -94.17 -35.46 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 72.530000000000001 110.864 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -81.3 -15.22 56.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 74.140000000000001 110.869 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.4 tpt -62.92 -39.39 94.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 45.43 110.843 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.38 -35.21 62.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 65.439999999999998 111.137 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -49.48 63.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 73.140000000000001 110.852 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -70.2 -40.89 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 62.520000000000003 110.923 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.4 t -50.84 -35.95 35.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 44.119999999999997 110.872 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -78.04 -38.67 44.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 74.329999999999998 110.845 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -62.58 -50.34 71.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 73.150000000000006 110.841 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 t -53.36 -38.0 62.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 74.319999999999993 110.892 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.1 m -68.94 -27.28 65.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 71.439999999999998 110.928 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.26 -66.5 0.22 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.706 -0.759 . . . . 71.209999999999994 112.508 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.61 -167.18 14.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 73.319999999999993 112.462 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -72.17 116.27 12.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.826 0.346 . . . . 72.329999999999998 110.918 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.57 -20.46 41.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 75.049999999999997 112.522 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -84.62 121.94 28.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 73.239999999999995 110.89 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.16 -175.33 21.98 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.726 -0.75 . . . . 24.32 112.486 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -157.24 157.53 34.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.33 . . . . 61.25 110.954 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.0 t -108.0 108.58 19.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 65.109999999999999 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.418 ' HB2' HD12 ' A' ' 34' ' ' LEU . 24.7 m-85 -128.17 111.0 12.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.929 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.95 -161.09 47.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 75.549999999999997 112.516 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -17.79 37.29 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.599 2.2 . . . . 73.329999999999998 112.325 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -116.24 141.07 48.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 72.219999999999999 110.896 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.2 t -76.78 126.73 31.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 45.109999999999999 110.901 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 29' ' ' TYR . 13.0 mt -115.94 111.6 20.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 70.219999999999999 110.93 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.7 m -66.84 106.7 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 55.399999999999999 110.882 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 65.299999999999997 110.919 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.815 0.341 . . . . 61.140000000000001 110.872 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.1 t -80.33 -36.59 33.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 65.219999999999999 110.907 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.1 ptm -161.06 154.91 18.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.541 0.686 . . . . 74.120000000000005 110.854 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 128.22 15.68 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.676 2.251 . . . . 51.450000000000003 112.367 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.4 169.63 8.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 74.200000000000003 110.874 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -145.5 126.93 14.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 63.399999999999999 110.848 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.8 p -73.29 -35.61 66.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 73.140000000000001 111.083 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -73.34 -23.06 60.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 64.450000000000003 111.091 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -91.41 131.72 36.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.328 -0.396 . . . . 61.420000000000002 110.877 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -94.28 -32.22 13.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 72.530000000000001 110.829 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -80.72 -15.21 57.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 74.140000000000001 110.911 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.9 tpt -65.02 -42.23 94.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 45.43 110.893 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.99 -35.46 46.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 65.439999999999998 111.011 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -51.96 -52.55 49.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 73.140000000000001 110.894 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -67.34 -41.46 85.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 62.520000000000003 110.889 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.7 t -50.41 -35.8 30.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 44.119999999999997 110.902 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -77.46 -37.79 50.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 74.329999999999998 110.867 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -64.12 -49.38 72.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 73.150000000000006 110.915 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.6 t -53.46 -35.88 61.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 74.319999999999993 110.862 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.7 m -72.5 -27.35 62.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 71.439999999999998 110.915 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.6 -72.04 0.19 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 71.209999999999994 112.484 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.69 172.24 30.42 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.782 -0.723 . . . . 73.319999999999993 112.475 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -51.77 118.85 3.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 72.329999999999998 110.891 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.66 -20.41 41.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 75.049999999999997 112.494 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -92.62 119.02 31.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 73.239999999999995 110.896 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.32 171.67 17.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 24.32 112.474 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -146.65 156.59 43.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 61.25 110.955 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.1 t -108.43 108.84 19.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 65.109999999999999 110.927 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.4 ' HB2' HD12 ' A' ' 34' ' ' LEU . 39.3 m-85 -129.55 110.36 11.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 74.010000000000005 110.914 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.55 -161.01 46.05 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 75.549999999999997 112.536 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -18.31 36.8 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 73.329999999999998 112.289 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -114.95 148.13 39.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 72.219999999999999 110.901 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.3 t -84.22 128.21 34.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 45.109999999999999 110.85 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' A' ' 29' ' ' TYR . 12.8 mt -115.94 119.27 35.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 70.219999999999999 110.939 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.4 m -77.75 152.08 33.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 55.399999999999999 110.852 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.7 mtm-85 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.12 -0.491 . . . . 65.299999999999997 110.882 -179.927 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 ptm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.762 0.315 . . . . 61.140000000000001 110.962 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.1 t -71.36 -35.48 71.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 65.219999999999999 110.94 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.4 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.2 ptm -162.24 154.84 16.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.594 0.711 . . . . 74.120000000000005 110.853 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 53.3 Cg_endo -69.79 128.14 15.58 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.691 2.261 . . . . 51.450000000000003 112.313 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.44 170.3 8.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 74.200000000000003 110.874 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -145.5 121.42 10.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 63.399999999999999 110.902 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -68.48 -36.39 78.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 73.140000000000001 111.104 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.1 p -72.21 -22.17 61.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 64.450000000000003 111.109 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -90.13 132.58 35.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 61.420000000000002 110.851 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -94.17 -35.46 12.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 72.530000000000001 110.926 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -81.37 -15.16 56.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.140000000000001 110.896 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.7 tpt -62.99 -40.6 98.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 45.43 110.863 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.3 -35.41 50.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 65.439999999999998 111.067 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.7 ttp85 -51.91 -53.29 42.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 73.140000000000001 110.903 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -66.24 -40.7 90.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 62.520000000000003 110.898 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.9 t -50.65 -42.23 56.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 44.119999999999997 110.801 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -73.47 -36.57 65.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 74.329999999999998 110.916 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.56 -50.74 70.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 73.150000000000006 110.82 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.1 t -53.74 -35.49 61.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 74.319999999999993 110.903 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.6 m -70.13 -27.5 64.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 71.439999999999998 110.885 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.0 -71.89 0.18 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 71.209999999999994 112.523 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.68 172.19 30.41 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.784 -0.722 . . . . 73.319999999999993 112.469 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -51.87 118.8 3.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 72.329999999999998 110.927 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.64 -20.38 41.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 75.049999999999997 112.487 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -92.97 119.84 32.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.872 0.368 . . . . 73.239999999999995 110.864 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.63 180.0 18.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 24.32 112.481 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -157.34 152.5 26.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 61.25 110.928 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.6 t -104.7 108.9 20.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 65.109999999999999 110.85 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -126.49 107.57 10.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 74.010000000000005 110.975 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.63 -157.7 47.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 75.549999999999997 112.49 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -19.91 35.77 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.628 2.218 . . . . 73.329999999999998 112.353 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -110.92 150.26 29.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 72.219999999999999 110.877 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.7 t -90.2 119.39 30.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 45.109999999999999 110.85 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.5 mt -106.63 120.45 42.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 70.219999999999999 110.883 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 30.3 m -80.88 151.3 28.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 55.399999999999999 110.896 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 65.299999999999997 110.879 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 tmm? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.808 0.337 . . . . 61.140000000000001 110.908 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.3 t -73.25 -35.81 66.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 65.219999999999999 110.869 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.4 ptm -160.34 154.37 19.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.527 0.679 . . . . 74.120000000000005 110.941 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 128.13 15.59 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.662 2.241 . . . . 51.450000000000003 112.422 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.19 169.39 8.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 74.200000000000003 110.876 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -145.4 143.89 30.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 63.399999999999999 110.892 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.2 p -85.6 -35.65 20.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 73.140000000000001 111.135 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -72.79 -23.02 60.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 64.450000000000003 111.158 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -88.19 131.5 34.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 61.420000000000002 110.933 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -94.06 -35.15 12.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 72.530000000000001 110.929 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -81.36 -15.13 56.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 74.140000000000001 110.876 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.5 tpt -61.83 -40.95 97.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 45.43 110.815 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.62 -35.46 54.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 65.439999999999998 111.087 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -57.12 12.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 73.140000000000001 110.927 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -61.02 -40.83 95.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 62.520000000000003 110.915 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.6 t -50.8 -40.31 55.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 44.119999999999997 110.903 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -74.93 -36.37 62.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.329999999999998 110.82 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -63.57 -51.09 66.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 73.150000000000006 110.831 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -53.73 -35.5 61.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 74.319999999999993 110.894 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 92.6 m -71.16 -27.28 63.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 71.439999999999998 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.52 -72.82 0.2 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.809 -0.71 . . . . 71.209999999999994 112.519 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -146.99 171.99 27.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 73.319999999999993 112.496 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -53.34 118.47 3.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.34 . . . . 72.329999999999998 110.87 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.5 -20.44 42.11 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.749 -0.738 . . . . 75.049999999999997 112.463 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 -88.81 119.54 29.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.895 0.379 . . . . 73.239999999999995 110.817 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.76 -176.51 19.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 24.32 112.524 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -157.37 155.33 30.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.838 0.351 . . . . 61.25 110.917 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 46.8 t -106.22 108.87 20.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 65.109999999999999 110.885 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.403 ' HB2' HD12 ' A' ' 34' ' ' LEU . 58.2 m-85 -126.33 105.24 8.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 74.010000000000005 110.893 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.04 -159.65 49.38 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.647 -0.787 . . . . 75.549999999999997 112.493 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -12.09 32.19 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.701 2.267 . . . . 73.329999999999998 112.363 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -117.37 138.9 51.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 72.219999999999999 110.912 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 t -82.38 117.47 22.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 45.109999999999999 110.918 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.403 HD12 ' HB2' ' A' ' 29' ' ' TYR . 18.7 mt -105.41 115.6 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 70.219999999999999 110.878 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 35.8 m -73.09 104.86 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 55.399999999999999 110.932 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 65.299999999999997 110.849 -179.931 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.822 0.344 . . . . 61.140000000000001 110.871 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.9 t -80.43 -35.59 34.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 65.219999999999999 110.872 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.6 ptm -163.23 154.69 14.75 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 74.120000000000005 110.88 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 128.13 15.6 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.753 2.302 . . . . 51.450000000000003 112.322 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.07 168.74 8.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 74.200000000000003 110.857 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -145.57 120.57 10.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 63.399999999999999 110.809 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.9 p -67.19 -35.85 80.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 73.140000000000001 111.083 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.58 HG23 ' OD2' ' A' ' 9' ' ' ASP . 10.6 t -72.97 -23.05 60.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.323 -0.399 . . . . 64.450000000000003 111.146 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.58 ' OD2' HG23 ' A' ' 8' ' ' THR . 24.7 m-20 -88.13 132.51 34.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 61.420000000000002 110.922 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.1 m80 -94.13 -35.56 12.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 72.530000000000001 110.822 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.29 -15.19 56.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 74.140000000000001 110.884 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.1 tpt -63.16 -42.51 99.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 45.43 110.863 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.73 -35.16 42.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 65.439999999999998 111.033 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -51.85 -51.59 55.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.412 . . . . 73.140000000000001 110.904 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -68.16 -41.65 81.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 62.520000000000003 110.905 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.1 t -50.59 -36.03 32.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 44.119999999999997 110.835 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -76.3 -37.27 57.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.329999999999998 110.901 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.09 -50.9 66.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 73.150000000000006 110.927 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -53.59 -35.49 60.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.319999999999993 110.94 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.0 m -72.26 -27.33 62.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 71.439999999999998 110.877 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 159.87 -72.47 0.22 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 71.209999999999994 112.454 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -143.3 174.65 23.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.727 . . . . 73.319999999999993 112.539 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.38 122.58 12.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.804 0.335 . . . . 72.329999999999998 110.916 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.43 -20.44 50.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 75.049999999999997 112.521 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.0 mtt180 -84.27 119.09 24.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 73.239999999999995 110.919 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.92 -173.66 16.94 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.753 -0.737 . . . . 24.32 112.527 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -157.33 158.59 36.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 61.25 110.881 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 t -107.58 108.79 20.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 65.109999999999999 110.902 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -126.61 115.13 19.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 74.010000000000005 110.88 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.28 -158.9 53.76 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.694 -0.765 . . . . 75.549999999999997 112.45 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -13.75 34.97 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.656 2.237 . . . . 73.329999999999998 112.31 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -112.96 165.55 12.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 72.219999999999999 110.896 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.0 t -103.97 116.32 32.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 45.109999999999999 110.956 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.0 mt -104.53 119.43 38.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 70.219999999999999 110.929 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.6 m -77.32 105.7 8.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 55.399999999999999 110.937 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 65.299999999999997 110.858 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.817 0.341 . . . . 61.140000000000001 110.904 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.1 t -81.59 -35.26 30.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 65.219999999999999 110.934 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.407 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 20.8 ptm -167.3 154.89 8.46 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.611 0.719 . . . . 74.120000000000005 110.835 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.41 ' O ' ' HE1' ' A' ' 12' ' ' MET . 53.6 Cg_endo -69.77 128.11 15.54 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 51.450000000000003 112.34 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.56 170.05 8.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 74.200000000000003 110.932 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -145.35 125.5 13.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 63.399999999999999 110.935 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.5 p -73.64 -35.45 65.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 73.140000000000001 111.137 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.6 t -72.43 -22.95 61.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 64.450000000000003 111.138 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -88.07 134.41 33.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 61.420000000000002 110.807 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -94.08 -35.9 12.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 72.530000000000001 110.87 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -81.36 -15.18 56.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 74.140000000000001 110.929 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.41 ' HE1' ' O ' ' A' ' 4' ' ' PRO . 10.2 tpt -64.76 -36.1 83.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 45.43 110.881 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.15 -35.74 60.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 65.439999999999998 111.082 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -58.77 -59.11 5.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 73.140000000000001 110.835 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.04 -43.06 73.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 62.520000000000003 110.887 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.4 t -51.3 -49.3 61.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.293 -0.412 . . . . 44.119999999999997 110.869 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -68.0 -35.41 78.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.329999999999998 110.956 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.61 -52.46 65.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 73.150000000000006 110.897 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.0 t -53.88 -35.69 61.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 74.319999999999993 110.871 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.5 m -68.58 -27.42 66.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 71.439999999999998 110.954 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.12 -71.97 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.708 -0.758 . . . . 71.209999999999994 112.454 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.51 172.16 30.29 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.706 -0.759 . . . . 73.319999999999993 112.447 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -51.87 118.97 3.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 72.329999999999998 110.873 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.61 -20.35 42.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.794 -0.717 . . . . 75.049999999999997 112.497 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -92.73 120.08 32.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 73.239999999999995 110.847 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.27 -178.26 17.68 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.733 -0.746 . . . . 24.32 112.497 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.39 154.09 28.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 61.25 110.861 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.2 t -104.65 108.92 20.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 65.109999999999999 110.924 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -127.33 111.14 13.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 74.010000000000005 110.926 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.31 -158.17 51.58 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.713 -0.756 . . . . 75.549999999999997 112.448 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -18.99 36.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 73.329999999999998 112.326 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -110.49 160.27 16.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 72.219999999999999 110.908 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.7 t -98.69 118.89 36.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 45.109999999999999 110.881 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.8 mt -106.32 124.98 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 70.219999999999999 110.851 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.7 m -85.58 134.5 34.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 55.399999999999999 110.927 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 ptp85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 65.299999999999997 110.857 -179.906 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.821 0.343 . . . . 61.140000000000001 110.895 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.5 t -80.67 -35.73 33.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 65.219999999999999 110.849 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.3 ptm -161.6 154.72 17.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 74.120000000000005 110.871 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.404 ' O ' ' HE2' ' A' ' 12' ' ' MET . 53.7 Cg_endo -69.75 128.14 15.61 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.701 2.267 . . . . 51.450000000000003 112.338 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.57 169.63 8.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 74.200000000000003 110.871 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -145.43 111.06 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 63.399999999999999 110.872 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.5 p -59.38 -35.53 74.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 73.140000000000001 111.125 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -72.5 -22.94 60.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 64.450000000000003 111.125 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -89.1 132.82 34.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 61.420000000000002 110.864 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -94.15 -35.66 12.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 72.530000000000001 110.85 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -81.31 -15.23 56.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 74.140000000000001 110.907 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.404 ' HE2' ' O ' ' A' ' 4' ' ' PRO . 9.7 tpt -63.58 -41.03 98.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 45.43 110.895 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.7 -35.37 42.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 65.439999999999998 111.134 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.9 ttp85 -52.06 -50.7 61.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 73.140000000000001 110.869 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -69.1 -40.96 78.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 62.520000000000003 110.845 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.8 t -50.38 -40.54 49.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 44.119999999999997 110.881 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -74.92 -36.58 62.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 74.329999999999998 110.825 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -63.05 -50.17 71.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 73.150000000000006 110.906 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 t -53.86 -35.19 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 74.319999999999993 110.898 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.9 m -70.94 -27.32 63.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 71.439999999999998 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.03 -71.84 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 71.209999999999994 112.472 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.74 172.44 30.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 73.319999999999993 112.448 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -52.06 118.83 3.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 72.329999999999998 110.945 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.71 -20.5 41.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 75.049999999999997 112.449 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.6 mtt-85 -93.03 119.77 32.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.39 . . . . 73.239999999999995 110.847 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.77 -179.94 18.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 24.32 112.49 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -157.37 151.88 25.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 61.25 110.855 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.2 t -105.07 108.93 20.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 65.109999999999999 110.856 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.421 ' HB2' HD12 ' A' ' 34' ' ' LEU . 53.2 m-85 -125.92 107.37 10.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 74.010000000000005 110.91 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.79 -157.46 47.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 75.549999999999997 112.483 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -20.13 35.09 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 73.329999999999998 112.368 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -110.73 148.66 31.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 72.219999999999999 110.96 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.3 t -89.16 118.93 29.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 45.109999999999999 110.858 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.421 HD12 ' HB2' ' A' ' 29' ' ' TYR . 18.5 mt -106.35 118.98 38.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.467 . . . . 70.219999999999999 110.9 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.3 m -77.73 122.11 24.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 55.399999999999999 110.842 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 65.299999999999997 110.902 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 ptm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.846 0.355 . . . . 61.140000000000001 110.85 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.2 t -52.04 -35.94 48.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 65.219999999999999 110.856 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.6 ptm -161.81 154.83 17.35 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.578 0.704 . . . . 74.120000000000005 110.831 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 128.2 15.67 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 51.450000000000003 112.305 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.01 169.92 8.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 74.200000000000003 110.822 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -145.53 142.31 29.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 63.399999999999999 110.862 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.9 p -85.9 -36.11 20.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 73.140000000000001 111.165 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.413 HG23 ' OD2' ' A' ' 9' ' ' ASP . 8.9 t -75.4 -23.03 57.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 64.450000000000003 111.037 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.413 ' OD2' HG23 ' A' ' 8' ' ' THR . 1.2 m-20 -85.06 131.62 34.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 61.420000000000002 110.902 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -94.01 -36.05 12.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 72.530000000000001 110.901 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -81.36 -15.23 55.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.140000000000001 110.911 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.0 tpt -63.91 -40.53 96.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 45.43 110.911 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.76 -38.82 57.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 65.439999999999998 111.133 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -55.96 24.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 73.140000000000001 110.885 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -59.27 -42.39 91.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 62.520000000000003 110.833 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.0 t -50.76 -44.97 58.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 44.119999999999997 110.858 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -71.61 -36.86 70.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 74.329999999999998 110.865 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.37 -50.65 70.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 73.150000000000006 110.853 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.6 t -53.89 -35.87 62.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.319999999999993 110.939 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.1 m -67.92 -27.43 66.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 71.439999999999998 110.857 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.67 -65.68 0.2 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 71.209999999999994 112.494 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.71 -162.84 10.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 73.319999999999993 112.481 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -76.5 116.99 17.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.352 . . . . 72.329999999999998 110.916 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.57 -20.45 41.91 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.835 -0.698 . . . . 75.049999999999997 112.529 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.9 mtt-85 -88.3 119.89 29.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.839 0.352 . . . . 73.239999999999995 110.867 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.01 -178.48 17.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.792 -0.718 . . . . 24.32 112.455 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.34 153.49 27.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.866 0.365 . . . . 61.25 110.883 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.5 t -105.28 108.89 20.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 65.109999999999999 110.859 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -127.76 108.29 10.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 74.010000000000005 110.912 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.23 -158.36 49.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.657 -0.782 . . . . 75.549999999999997 112.531 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.59 -19.86 36.38 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.715 2.276 . . . . 73.329999999999998 112.408 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -110.31 151.08 27.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 72.219999999999999 110.988 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.7 t -90.95 118.13 30.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 45.109999999999999 110.855 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.5 mt -103.98 121.78 43.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 70.219999999999999 110.95 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.2 m -85.58 128.49 34.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 55.399999999999999 110.872 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 65.299999999999997 110.876 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.816 0.341 . . . . 61.140000000000001 110.892 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.5 t -65.65 -35.42 80.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 65.219999999999999 110.876 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.4 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.3 ptm -162.67 154.82 15.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.587 0.708 . . . . 74.120000000000005 110.86 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 53.4 Cg_endo -69.78 128.25 15.74 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.649 2.233 . . . . 51.450000000000003 112.32 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.89 169.63 8.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.200000000000003 110.908 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -145.51 128.25 16.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 63.399999999999999 110.87 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.2 p -73.86 -35.59 64.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 73.140000000000001 111.155 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -73.57 -22.93 59.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 64.450000000000003 111.089 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -88.0 132.33 34.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 61.420000000000002 110.856 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -94.15 -35.28 12.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 72.530000000000001 110.855 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -81.26 -15.24 56.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 74.140000000000001 110.863 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.7 tpt -64.07 -40.24 95.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 45.43 110.956 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.18 -35.46 49.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 65.439999999999998 111.134 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.81 -56.58 17.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.140000000000001 110.931 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -60.77 -41.77 96.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 62.520000000000003 110.898 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.0 t -50.49 -41.66 53.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 44.119999999999997 110.9 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -73.83 -36.42 64.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 74.329999999999998 110.866 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.71 -50.6 70.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 73.150000000000006 110.837 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 t -53.9 -35.26 61.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 74.319999999999993 110.889 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.2 m -70.28 -27.41 64.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 71.439999999999998 110.899 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.1 -71.87 0.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 71.209999999999994 112.466 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.74 172.18 30.46 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 73.319999999999993 112.498 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -51.79 118.9 3.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.332 . . . . 72.329999999999998 110.865 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.59 -20.51 41.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 75.049999999999997 112.524 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -92.83 119.58 32.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 73.239999999999995 110.887 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.9 179.92 18.09 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.752 -0.737 . . . . 24.32 112.457 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -157.34 152.16 25.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.368 . . . . 61.25 110.879 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.3 t -104.35 108.75 20.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 65.109999999999999 110.854 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.427 ' HB2' HD12 ' A' ' 34' ' ' LEU . 53.4 m-85 -125.8 107.13 10.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 74.010000000000005 111.016 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.43 -157.47 47.93 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.792 -0.718 . . . . 75.549999999999997 112.542 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 -19.91 35.48 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.729 2.286 . . . . 73.329999999999998 112.343 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -110.59 150.03 29.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 72.219999999999999 110.903 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.9 t -90.45 119.56 30.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 45.109999999999999 110.83 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.427 HD12 ' HB2' ' A' ' 29' ' ' TYR . 18.4 mt -107.64 120.44 42.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 70.219999999999999 110.887 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 28.7 m -80.42 152.02 29.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 55.399999999999999 110.86 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 65.299999999999997 110.894 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 ptm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.854 0.359 . . . . 61.140000000000001 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.2 t -52.58 -35.85 54.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 65.219999999999999 110.847 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.4 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.6 ptm -162.32 154.66 16.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.644 0.735 . . . . 74.120000000000005 110.82 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 53.3 Cg_endo -69.76 128.17 15.65 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.723 2.282 . . . . 51.450000000000003 112.322 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.39 170.49 8.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 74.200000000000003 110.855 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -145.56 123.07 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 63.399999999999999 110.851 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.0 p -71.06 -35.72 72.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 73.140000000000001 111.124 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.51 HG23 ' OD2' ' A' ' 9' ' ' ASP . 9.9 t -74.1 -22.91 59.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.214 -0.448 . . . . 64.450000000000003 111.157 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.51 ' OD2' HG23 ' A' ' 8' ' ' THR . 32.9 m-20 -89.24 132.82 34.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 61.420000000000002 110.873 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -94.17 -35.49 12.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 72.530000000000001 110.821 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -81.3 -15.2 56.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 74.140000000000001 110.902 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.3 tpt -63.37 -41.66 98.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 45.43 110.835 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.78 -35.23 61.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 65.439999999999998 111.077 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -46.1 64.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 73.140000000000001 110.938 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -74.51 -39.63 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 62.520000000000003 110.948 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 t -50.55 -44.16 56.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 44.119999999999997 110.843 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -72.6 -36.34 68.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.329999999999998 110.83 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -62.6 -50.92 69.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 73.150000000000006 110.897 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.7 t -54.03 -35.12 61.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 74.319999999999993 110.887 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 92.8 m -69.77 -27.4 64.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 71.439999999999998 110.885 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.94 -71.53 0.19 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 71.209999999999994 112.464 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.75 172.12 30.48 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 73.319999999999993 112.53 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -52.05 118.86 3.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.34 . . . . 72.329999999999998 110.909 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.57 -20.44 41.94 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.709 -0.758 . . . . 75.049999999999997 112.449 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -92.25 119.08 31.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 73.239999999999995 110.858 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.11 169.44 17.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 24.32 112.456 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -144.24 157.81 44.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 61.25 110.908 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.4 t -110.25 108.81 19.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 65.109999999999999 110.868 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -130.28 106.8 8.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 74.010000000000005 110.98 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.05 -160.86 41.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 75.549999999999997 112.486 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -19.06 36.5 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.735 2.29 . . . . 73.329999999999998 112.343 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -111.95 149.56 31.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 72.219999999999999 110.892 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.1 t -88.19 123.7 33.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 45.109999999999999 110.856 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.8 mt -109.24 120.4 42.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 70.219999999999999 110.931 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.7 m -82.56 152.03 26.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 55.399999999999999 110.872 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 65.299999999999997 110.9 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.834 0.349 . . . . 61.140000000000001 110.833 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.5 t -74.67 -35.49 62.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 65.219999999999999 110.922 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.1 ptm -161.66 154.37 17.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.525 0.679 . . . . 74.120000000000005 110.927 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 128.18 15.75 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.709 2.273 . . . . 51.450000000000003 112.33 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.75 169.63 8.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.200000000000003 110.891 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -145.43 132.92 20.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 63.399999999999999 110.846 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 59.3 p -77.02 -35.77 56.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 73.140000000000001 111.129 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.0 t -72.68 -22.98 60.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 64.450000000000003 111.152 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.14 131.61 35.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 61.420000000000002 110.822 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -94.24 -34.95 12.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 72.530000000000001 110.841 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -81.24 -15.14 56.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 74.140000000000001 110.97 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.6 tpt -61.49 -41.82 97.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 45.43 110.901 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.21 -35.86 50.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 65.439999999999998 111.097 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.21 -50.05 62.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 73.140000000000001 110.912 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -68.93 -41.43 78.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 62.520000000000003 110.955 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.2 t -50.4 -36.09 31.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 44.119999999999997 110.885 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -78.2 -36.04 47.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 74.329999999999998 110.957 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -63.98 -49.95 70.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 73.150000000000006 110.911 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 t -53.82 -34.93 60.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 74.319999999999993 110.876 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 96.9 m -71.63 -27.46 63.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 71.439999999999998 110.876 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.6 -71.41 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 71.209999999999994 112.477 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.72 171.82 30.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.809 -0.71 . . . . 73.319999999999993 112.514 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 118.86 3.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.807 0.337 . . . . 72.329999999999998 110.909 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.5 -20.42 42.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.682 -0.77 . . . . 75.049999999999997 112.478 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -92.08 119.32 31.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 73.239999999999995 110.858 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.28 -179.75 19.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.796 -0.716 . . . . 24.32 112.555 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.31 152.43 25.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 61.25 110.882 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 46.0 t -104.5 108.65 20.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 65.109999999999999 110.843 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.428 ' HB2' HD12 ' A' ' 34' ' ' LEU . 44.6 m-85 -122.23 104.91 9.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 74.010000000000005 110.957 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.96 -156.81 46.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 75.549999999999997 112.54 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -19.58 35.83 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 73.329999999999998 112.353 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -111.37 143.86 41.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 72.219999999999999 110.989 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.5 t -85.5 124.03 31.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 45.109999999999999 110.907 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.428 HD12 ' HB2' ' A' ' 29' ' ' TYR . 9.6 mt -116.8 116.73 28.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 70.219999999999999 110.928 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.9 m -70.94 120.28 16.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 55.399999999999999 110.866 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 65.299999999999997 110.921 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.737 0.303 . . . . 61.140000000000001 110.885 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.9 t -72.93 -37.06 67.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 65.219999999999999 110.974 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.0 ptm -160.61 154.83 19.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.517 0.675 . . . . 74.120000000000005 110.939 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 128.18 15.59 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.685 2.257 . . . . 51.450000000000003 112.349 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.71 168.36 9.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 74.200000000000003 110.906 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -145.43 120.77 10.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 63.399999999999999 110.951 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.3 p -67.32 -36.16 80.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 73.140000000000001 111.175 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.545 HG23 ' OD2' ' A' ' 9' ' ' ASP . 10.1 t -72.99 -22.97 60.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 64.450000000000003 111.189 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.545 ' OD2' HG23 ' A' ' 8' ' ' THR . 26.4 m-20 -88.08 132.19 34.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 61.420000000000002 110.849 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -93.97 -35.93 12.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 72.530000000000001 110.946 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -81.39 -15.17 56.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 74.140000000000001 110.952 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.4 tpt -64.46 -42.61 95.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 45.43 110.856 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.68 -35.43 42.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 65.439999999999998 111.02 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -51.9 -53.46 40.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 73.140000000000001 110.86 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt -65.36 -41.95 93.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 62.520000000000003 110.881 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.8 t -50.23 -35.82 28.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 44.119999999999997 110.899 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.37 -37.76 51.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 74.329999999999998 110.845 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -64.55 -49.16 72.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 73.150000000000006 110.838 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 t -53.56 -35.64 61.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 74.319999999999993 110.843 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 97.9 m -72.71 -27.48 62.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 71.439999999999998 110.884 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.63 -71.86 0.19 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.727 -0.749 . . . . 71.209999999999994 112.503 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.75 172.27 30.46 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.743 -0.741 . . . . 73.319999999999993 112.513 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -51.82 118.86 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 72.329999999999998 110.971 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.59 -20.43 41.94 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.736 -0.745 . . . . 75.049999999999997 112.514 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -92.5 119.02 31.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 73.239999999999995 110.862 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.11 169.72 17.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 24.32 112.465 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -144.25 158.24 43.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.772 0.32 . . . . 61.25 110.881 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 38.5 t -110.2 108.8 19.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 65.109999999999999 110.923 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.4 ' HB2' HD12 ' A' ' 34' ' ' LEU . 47.2 m-85 -130.14 109.09 10.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 74.010000000000005 110.917 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.37 -161.28 42.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 75.549999999999997 112.498 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -18.41 37.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 73.329999999999998 112.37 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -114.23 149.23 36.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 72.219999999999999 110.927 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.8 t -85.72 126.99 34.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 45.109999999999999 110.908 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' A' ' 29' ' ' TYR . 13.6 mt -114.06 119.98 39.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 70.219999999999999 110.922 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.0 m -79.01 151.99 31.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 55.399999999999999 110.857 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 65.299999999999997 110.91 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ptt? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.806 0.336 . . . . 61.140000000000001 110.87 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.3 t -82.96 -36.62 24.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 65.219999999999999 110.914 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.4 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.4 ptm -160.9 154.75 18.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 74.120000000000005 110.871 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 53.9 Cg_endo -69.72 128.23 15.76 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.693 2.262 . . . . 51.450000000000003 112.36 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.88 168.9 8.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 74.200000000000003 110.89 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -145.51 118.92 9.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 63.399999999999999 110.848 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.7 p -65.91 -35.76 81.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 73.140000000000001 111.137 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.545 HG23 ' OD2' ' A' ' 9' ' ' ASP . 15.2 t -73.11 -23.0 60.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 64.450000000000003 111.149 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.545 ' OD2' HG23 ' A' ' 8' ' ' THR . 34.1 m-20 -88.53 132.54 34.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.284 -0.416 . . . . 61.420000000000002 110.853 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -94.12 -35.9 12.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 72.530000000000001 110.871 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -81.35 -15.28 55.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 74.140000000000001 110.91 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.5 tpt -64.15 -42.91 96.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 45.43 110.845 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.67 -35.23 41.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 65.439999999999998 111.101 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -51.9 -51.34 57.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.140000000000001 110.88 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -67.66 -41.53 83.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 62.520000000000003 110.986 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 t -50.35 -35.84 29.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 44.119999999999997 110.892 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -77.3 -37.86 51.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 74.329999999999998 110.859 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -63.91 -49.34 73.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 73.150000000000006 110.903 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.4 t -53.55 -35.58 60.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 74.319999999999993 110.95 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.0 m -72.34 -27.36 62.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 71.439999999999998 110.907 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.88 -72.09 0.18 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.778 -0.725 . . . . 71.209999999999994 112.467 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.73 172.39 30.44 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 73.319999999999993 112.483 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -51.81 118.96 3.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.845 0.355 . . . . 72.329999999999998 110.839 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.62 -20.51 41.63 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.736 -0.745 . . . . 75.049999999999997 112.499 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -92.74 119.05 31.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 73.239999999999995 110.862 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.33 169.72 17.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 24.32 112.531 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -144.78 156.43 44.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 61.25 110.87 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.2 t -108.93 108.89 19.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 65.109999999999999 110.938 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.443 ' HB2' HD12 ' A' ' 34' ' ' LEU . 53.4 m-85 -129.5 109.89 11.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 74.010000000000005 110.941 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.4 -160.82 46.15 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 75.549999999999997 112.445 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -18.85 37.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.713 2.276 . . . . 73.329999999999998 112.378 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -113.59 148.4 36.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 72.219999999999999 110.896 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.7 t -85.9 127.25 34.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 45.109999999999999 110.873 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.443 HD12 ' HB2' ' A' ' 29' ' ' TYR . 17.8 mt -114.19 119.61 37.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 70.219999999999999 110.928 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.0 m -78.33 152.02 32.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 55.399999999999999 110.897 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 65.299999999999997 110.894 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ppp? . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.812 0.339 . . . . 61.140000000000001 110.838 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.7 t -83.89 -35.33 24.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 65.219999999999999 110.844 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.1 ptm -163.38 154.77 14.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.733 . . . . 74.120000000000005 110.877 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 128.05 15.46 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.682 2.255 . . . . 51.450000000000003 112.375 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.22 169.7 8.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 74.200000000000003 110.9 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -145.44 113.47 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 63.399999999999999 110.817 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.3 p -61.05 -35.72 77.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 73.140000000000001 111.145 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.577 HG23 ' OD2' ' A' ' 9' ' ' ASP . 11.7 t -72.37 -23.09 61.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 64.450000000000003 111.105 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.577 ' OD2' HG23 ' A' ' 8' ' ' THR . 28.0 m-20 -88.83 132.83 34.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 61.420000000000002 110.92 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -94.15 -35.77 12.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 72.530000000000001 110.851 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -81.33 -15.25 55.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 74.140000000000001 110.972 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.5 tpt -63.35 -41.73 98.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 45.43 110.885 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.66 -35.25 41.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 65.439999999999998 111.111 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -49.07 63.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 73.140000000000001 110.948 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -70.15 -41.83 73.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 62.520000000000003 110.902 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.2 t -50.55 -37.39 39.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 44.119999999999997 110.811 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -76.13 -36.82 58.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 74.329999999999998 110.83 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.61 -49.74 72.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 73.150000000000006 110.928 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -53.66 -35.5 61.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 74.319999999999993 110.896 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.1 m -71.61 -27.53 63.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.439999999999998 110.946 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.02 -72.12 0.18 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 71.209999999999994 112.478 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.68 172.38 30.4 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.687 -0.768 . . . . 73.319999999999993 112.425 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 118.92 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 72.329999999999998 110.948 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.67 -20.47 41.62 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 75.049999999999997 112.441 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -93.09 119.66 32.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 73.239999999999995 110.89 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.08 -179.89 17.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 24.32 112.482 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.34 151.51 24.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 61.25 110.908 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.0 t -104.46 108.66 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 65.109999999999999 110.889 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -124.33 107.86 11.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 74.010000000000005 110.921 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.51 -156.72 48.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 75.549999999999997 112.481 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -20.15 35.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.613 2.209 . . . . 73.329999999999998 112.36 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -109.74 153.4 24.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 72.219999999999999 110.938 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.9 t -94.06 119.18 32.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 45.109999999999999 110.836 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.7 mt -108.52 120.21 41.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 70.219999999999999 110.912 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 31.9 m -78.51 152.02 32.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 55.399999999999999 110.961 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 65.299999999999997 110.867 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ptm . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.86 0.362 . . . . 61.140000000000001 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.6 t -79.1 -35.61 42.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 65.219999999999999 110.862 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.4 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.0 ptm -161.73 154.74 17.4 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.56 0.695 . . . . 74.120000000000005 110.853 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 53.9 Cg_endo -69.74 128.28 15.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.744 2.296 . . . . 51.450000000000003 112.319 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.48 171.52 7.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.200000000000003 110.83 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -145.51 127.22 15.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 63.399999999999999 110.83 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.9 p -73.77 -35.51 64.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 73.140000000000001 111.159 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.7 t -74.87 -22.98 58.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 64.450000000000003 111.145 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -90.57 131.25 36.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 61.420000000000002 110.864 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -94.31 -32.38 13.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 72.530000000000001 110.829 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -80.92 -15.11 57.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 74.140000000000001 110.856 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.0 tpt -64.96 -42.29 94.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 45.43 110.87 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.73 -35.35 42.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 65.439999999999998 111.113 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -51.86 -50.9 60.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -69.92 -39.25 76.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 62.520000000000003 110.881 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.0 t -50.57 -43.23 56.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 44.119999999999997 110.923 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -72.54 -36.95 68.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 74.329999999999998 110.872 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.55 -50.65 70.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.150000000000006 110.867 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.7 t -53.88 -35.43 61.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 74.319999999999993 110.893 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.7 m -70.08 -27.51 64.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 71.439999999999998 110.881 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.82 -71.78 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 71.209999999999994 112.503 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.7 172.12 30.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.732 -0.747 . . . . 73.319999999999993 112.44 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -51.83 118.85 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 72.329999999999998 110.976 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.62 -20.48 41.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 75.049999999999997 112.536 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -92.79 119.77 32.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.357 . . . . 73.239999999999995 110.889 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.21 -179.93 18.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.785 -0.721 . . . . 24.32 112.521 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.4 152.74 26.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.816 0.341 . . . . 61.25 110.961 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.8 t -104.29 108.89 20.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 65.109999999999999 110.929 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -127.11 108.34 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 74.010000000000005 110.919 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.22 -157.77 48.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.707 -0.759 . . . . 75.549999999999997 112.579 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -19.62 35.87 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.761 2.307 . . . . 73.329999999999998 112.36 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -110.97 152.52 26.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 72.219999999999999 110.893 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.9 t -92.02 118.54 30.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 45.109999999999999 110.862 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.0 mt -105.27 121.07 43.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 70.219999999999999 110.871 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.4 m -82.49 151.98 26.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 55.399999999999999 110.964 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 65.299999999999997 110.927 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ptm . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.856 0.36 . . . . 61.140000000000001 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 14.8 t -64.18 -36.42 84.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 65.219999999999999 110.859 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.8 ptm -161.76 154.52 17.09 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.711 . . . . 74.120000000000005 110.869 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 128.31 15.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.649 2.233 . . . . 51.450000000000003 112.365 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.7 169.93 8.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 74.200000000000003 110.834 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -145.61 115.12 7.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 63.399999999999999 110.887 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.8 p -63.0 -35.53 80.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 73.140000000000001 111.15 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.579 HG23 ' OD2' ' A' ' 9' ' ' ASP . 11.3 t -73.33 -23.05 60.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 64.450000000000003 111.091 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.579 ' OD2' HG23 ' A' ' 8' ' ' THR . 26.8 m-20 -88.68 132.8 34.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 61.420000000000002 110.909 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -94.21 -35.81 12.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 72.530000000000001 110.85 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -81.38 -15.24 55.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 74.140000000000001 110.89 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.2 tpt -64.51 -42.46 95.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 45.43 110.867 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.51 -35.38 40.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 65.439999999999998 111.134 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -52.05 -50.57 61.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 73.140000000000001 110.864 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -69.65 -39.43 77.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 62.520000000000003 110.878 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 t -50.45 -44.01 55.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 44.119999999999997 110.858 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -72.99 -36.51 67.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 74.329999999999998 110.811 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.37 -51.0 69.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 73.150000000000006 110.857 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 t -53.83 -35.64 61.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 74.319999999999993 110.841 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.2 m -69.6 -27.33 65.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 71.439999999999998 110.853 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.99 -71.85 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.681 -0.771 . . . . 71.209999999999994 112.464 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.71 172.09 30.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.792 -0.718 . . . . 73.319999999999993 112.545 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.8 tttt -51.88 118.88 3.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 72.329999999999998 110.904 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.61 -20.41 41.96 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 75.049999999999997 112.503 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 mtt85 -92.56 119.09 31.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 73.239999999999995 110.946 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.48 172.51 18.23 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 24.32 112.572 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -148.09 155.3 41.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.805 0.336 . . . . 61.25 110.917 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.1 t -107.04 108.77 20.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 65.109999999999999 110.892 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -129.33 110.14 11.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 74.010000000000005 110.959 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.91 -160.19 48.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 75.549999999999997 112.461 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -18.29 36.87 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.676 2.251 . . . . 73.329999999999998 112.346 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -113.48 150.02 33.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 72.219999999999999 110.883 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.9 t -88.29 125.16 34.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 45.109999999999999 110.904 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.3 mt -110.89 121.89 46.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 70.219999999999999 110.922 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.0 m -84.18 126.96 33.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 55.399999999999999 110.972 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 65.299999999999997 110.878 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.894 0.378 . . . . 61.140000000000001 110.907 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.4 t -77.58 -36.02 52.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 65.219999999999999 110.841 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.0 ptm -162.2 154.45 16.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.529 0.681 . . . . 74.120000000000005 110.927 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 128.38 15.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.266 . . . . 51.450000000000003 112.34 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.73 168.78 9.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 74.200000000000003 110.899 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -145.51 117.78 8.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 63.399999999999999 110.903 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.5 t -64.39 -36.12 83.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 73.140000000000001 111.099 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.562 HG23 ' OD2' ' A' ' 9' ' ' ASP . 11.5 t -72.27 -22.22 61.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 64.450000000000003 111.11 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.562 ' OD2' HG23 ' A' ' 8' ' ' THR . 24.8 m-20 -88.65 132.4 34.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 61.420000000000002 110.877 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -94.04 -35.85 12.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 72.530000000000001 110.805 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -81.3 -15.22 56.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.140000000000001 110.877 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.1 tpt -65.7 -38.72 90.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 45.43 110.833 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.15 -35.6 49.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 65.439999999999998 111.058 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -55.76 28.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 73.140000000000001 110.813 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -61.44 -41.43 97.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 62.520000000000003 110.887 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.9 t -50.5 -45.93 56.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 44.119999999999997 110.889 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -71.86 -37.31 70.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 74.329999999999998 110.904 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.33 -51.36 69.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 73.150000000000006 110.883 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 t -53.77 -36.34 62.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 74.319999999999993 110.893 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 95.2 m -67.82 -27.34 66.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 71.439999999999998 110.903 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.69 -68.39 0.2 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 71.209999999999994 112.466 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.78 -169.26 15.34 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.721 -0.752 . . . . 73.319999999999993 112.448 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -69.97 116.71 10.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.793 0.33 . . . . 72.329999999999998 110.94 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.09 -20.5 42.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 75.049999999999997 112.46 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.65 119.98 27.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 73.239999999999995 110.892 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.95 -176.99 17.98 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.687 -0.768 . . . . 24.32 112.446 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.38 154.58 29.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 61.25 110.885 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.8 t -106.75 108.74 20.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 65.109999999999999 110.905 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -128.73 109.78 11.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 74.010000000000005 110.889 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.01 -159.96 47.86 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 75.549999999999997 112.501 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -18.56 36.89 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.675 2.25 . . . . 73.329999999999998 112.399 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -113.54 147.7 37.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 72.219999999999999 110.876 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.4 t -85.33 121.61 28.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 45.109999999999999 110.927 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.2 mt -108.26 117.66 34.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 70.219999999999999 110.97 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.1 m -79.54 119.99 23.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 55.399999999999999 110.914 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 65.299999999999997 110.933 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ptm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.848 0.356 . . . . 61.140000000000001 110.92 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.4 t -51.96 -35.56 46.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 65.219999999999999 110.903 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.4 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 19.0 ptm -161.99 154.62 16.81 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.574 0.702 . . . . 74.120000000000005 110.798 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 53.7 Cg_endo -69.77 128.24 15.73 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.689 2.26 . . . . 51.450000000000003 112.325 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.54 169.6 8.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.200000000000003 110.87 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -145.47 121.39 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 63.399999999999999 110.839 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.2 t -68.56 -35.98 78.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 73.140000000000001 111.131 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.619 HG23 ' OD2' ' A' ' 9' ' ' ASP . 6.3 t -72.29 -22.21 61.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 64.450000000000003 111.183 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.619 ' OD2' HG23 ' A' ' 8' ' ' THR . 1.0 OUTLIER -90.32 132.44 35.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 61.420000000000002 110.816 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -94.28 -35.41 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 72.530000000000001 110.847 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -81.27 -15.19 56.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 74.140000000000001 110.925 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.7 tpt -63.12 -41.7 99.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 45.43 110.894 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.52 -35.57 41.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 65.439999999999998 111.109 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -52.41 -50.19 63.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 73.140000000000001 110.933 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -69.76 -39.93 76.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 62.520000000000003 110.815 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.8 t -50.53 -45.5 56.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 44.119999999999997 110.877 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -71.44 -37.1 71.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.329999999999998 110.874 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -61.44 -51.31 69.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 73.150000000000006 110.898 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.9 t -53.85 -35.61 61.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 74.319999999999993 110.918 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 88.3 m -68.87 -27.37 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 71.439999999999998 110.917 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.96 -71.78 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 71.209999999999994 112.488 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.72 172.18 30.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 73.319999999999993 112.529 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -51.91 118.77 3.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.853 0.359 . . . . 72.329999999999998 110.901 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.73 -20.53 41.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 75.049999999999997 112.408 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -92.73 119.73 32.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 73.239999999999995 110.862 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.51 179.6 18.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 24.32 112.448 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -157.32 152.56 26.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 61.25 110.886 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.1 t -103.99 108.91 20.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 65.109999999999999 110.865 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -127.85 107.88 10.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 74.010000000000005 110.908 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.45 -157.99 48.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 75.549999999999997 112.46 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -19.91 35.54 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.699 2.266 . . . . 73.329999999999998 112.296 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -110.63 151.17 27.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 72.219999999999999 110.929 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.1 t -90.86 118.16 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 45.109999999999999 110.904 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 mt -103.66 120.88 41.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 70.219999999999999 110.961 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.9 m -83.42 151.69 25.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 55.399999999999999 110.869 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 65.299999999999997 110.83 -179.913 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.899 0.38 . . . . 61.140000000000001 110.873 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.1 t -80.45 -35.32 35.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 65.219999999999999 110.871 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.402 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.3 ptm -162.28 154.96 16.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.544 0.688 . . . . 74.120000000000005 110.92 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 53.6 Cg_endo -69.7 128.08 15.57 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.744 2.296 . . . . 51.450000000000003 112.299 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.69 168.65 8.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 74.200000000000003 110.843 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -145.54 112.98 6.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 63.399999999999999 110.866 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.7 p -60.77 -35.52 76.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 73.140000000000001 111.166 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.465 HG23 ' OD2' ' A' ' 9' ' ' ASP . 9.0 t -72.48 -23.05 60.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 64.450000000000003 111.105 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.465 ' OD2' HG23 ' A' ' 8' ' ' THR . 46.8 m-20 -88.49 133.73 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 61.420000000000002 110.866 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -94.19 -35.82 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.530000000000001 110.831 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -81.4 -15.24 55.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 74.140000000000001 110.916 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.2 tpt -64.76 -42.14 95.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 45.43 110.821 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.68 -35.48 42.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.293 -0.412 . . . . 65.439999999999998 111.097 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -53.22 -53.83 44.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 73.140000000000001 110.852 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -65.2 -40.69 94.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 62.520000000000003 110.902 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t -50.48 -42.73 54.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 44.119999999999997 110.914 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -72.34 -36.31 68.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 74.329999999999998 110.845 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -63.16 -50.3 70.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 73.150000000000006 110.86 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.9 t -53.87 -35.04 61.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 74.319999999999993 110.893 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 88.8 m -70.98 -27.47 63.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 71.439999999999998 110.845 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.08 -71.93 0.18 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.751 . . . . 71.209999999999994 112.454 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.62 172.26 30.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 73.319999999999993 112.471 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -51.86 118.84 3.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 72.329999999999998 110.916 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.64 -20.41 41.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 75.049999999999997 112.468 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -92.99 119.59 32.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.346 . . . . 73.239999999999995 110.889 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.31 -179.65 17.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.766 . . . . 24.32 112.393 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -157.28 152.55 26.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 61.25 110.912 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.2 t -104.56 108.85 20.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 65.109999999999999 110.857 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.402 ' HB2' HD12 ' A' ' 34' ' ' LEU . 59.0 m-85 -126.81 109.9 12.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 74.010000000000005 110.949 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.64 -157.52 50.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.814 -0.708 . . . . 75.549999999999997 112.409 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -19.42 36.37 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.271 . . . . 73.329999999999998 112.369 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -109.88 157.26 19.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 72.219999999999999 110.956 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.5 t -96.85 116.34 29.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 45.109999999999999 110.881 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.402 HD12 ' HB2' ' A' ' 29' ' ' TYR . 21.7 mt -103.18 121.66 43.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 70.219999999999999 110.874 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 34.3 m -82.36 152.1 26.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 55.399999999999999 110.851 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 65.299999999999997 110.875 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ptt? . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.775 0.322 . . . . 61.140000000000001 110.939 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 21.8 t -77.44 -35.66 53.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 65.219999999999999 110.926 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.2 ptm -161.01 154.93 18.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.573 0.701 . . . . 74.120000000000005 110.891 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 128.12 15.55 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.671 2.248 . . . . 51.450000000000003 112.374 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.49 171.23 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 74.200000000000003 110.819 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -145.44 127.01 15.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 63.399999999999999 110.859 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.1 p -73.24 -35.6 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 73.140000000000001 111.138 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -75.21 -23.06 57.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 64.450000000000003 111.2 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -89.9 130.65 36.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.463 . . . . 61.420000000000002 110.879 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -94.24 -32.36 13.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 72.530000000000001 110.866 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -80.76 -15.17 57.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 74.140000000000001 110.975 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.3 tpt -64.66 -42.46 95.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 45.43 110.943 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.68 -35.49 42.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 65.439999999999998 111.138 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -51.99 -49.65 62.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 73.140000000000001 110.855 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -70.86 -39.75 72.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 62.520000000000003 110.929 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.5 t -50.55 -39.44 49.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 44.119999999999997 110.813 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -75.32 -37.15 60.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 74.329999999999998 110.861 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -63.18 -49.86 72.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 73.150000000000006 110.917 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.7 t -53.81 -35.35 61.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 74.319999999999993 110.916 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 88.6 m -71.3 -27.42 63.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 71.439999999999998 110.924 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.06 -72.06 0.18 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.788 -0.72 . . . . 71.209999999999994 112.471 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.68 172.42 30.39 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.749 -0.738 . . . . 73.319999999999993 112.487 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -51.86 118.84 3.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.794 0.33 . . . . 72.329999999999998 110.926 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.6 -20.43 41.88 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 75.049999999999997 112.548 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -93.07 119.75 32.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.933 0.396 . . . . 73.239999999999995 110.851 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.68 179.77 18.23 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.803 -0.713 . . . . 24.32 112.519 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.34 152.47 25.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 61.25 110.893 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.6 t -104.81 108.81 20.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 65.109999999999999 110.885 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.421 ' HB2' HD12 ' A' ' 34' ' ' LEU . 53.9 m-85 -125.43 106.76 10.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 74.010000000000005 110.926 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.88 -157.3 46.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 75.549999999999997 112.511 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -20.22 34.89 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.686 2.257 . . . . 73.329999999999998 112.333 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -110.84 148.56 32.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 72.219999999999999 110.925 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.9 t -88.94 119.91 29.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 45.109999999999999 110.906 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.421 HD12 ' HB2' ' A' ' 29' ' ' TYR . 17.7 mt -107.75 120.68 42.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 70.219999999999999 110.902 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.5 m -79.68 152.04 30.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 55.399999999999999 110.905 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 65.299999999999997 110.858 -179.937 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.844 0.354 . . . . 61.140000000000001 110.914 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.8 t -82.73 -36.12 26.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 65.219999999999999 110.865 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.5 ptm -161.15 154.42 18.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.556 0.693 . . . . 74.120000000000005 110.865 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 128.28 15.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.616 2.211 . . . . 51.450000000000003 112.359 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.98 169.77 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 74.200000000000003 110.944 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -145.58 120.8 10.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 63.399999999999999 110.855 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -66.08 -35.56 80.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 73.140000000000001 111.158 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -72.19 -22.33 61.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 64.450000000000003 111.196 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -90.16 132.01 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 61.420000000000002 110.925 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -94.17 -35.46 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 72.530000000000001 110.864 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -81.3 -15.22 56.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 74.140000000000001 110.869 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.4 tpt -62.92 -39.39 94.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 45.43 110.843 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.38 -35.21 62.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 65.439999999999998 111.137 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -49.48 63.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 73.140000000000001 110.852 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -70.2 -40.89 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 62.520000000000003 110.923 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.4 t -50.84 -35.95 35.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 44.119999999999997 110.872 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -78.04 -38.67 44.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 74.329999999999998 110.845 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -62.58 -50.34 71.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 73.150000000000006 110.841 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 t -53.36 -38.0 62.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 74.319999999999993 110.892 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.1 m -68.94 -27.28 65.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 71.439999999999998 110.928 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.26 -66.5 0.22 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.706 -0.759 . . . . 71.209999999999994 112.508 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.61 -167.18 14.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 73.319999999999993 112.462 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -72.17 116.27 12.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.826 0.346 . . . . 72.329999999999998 110.918 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.57 -20.46 41.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 75.049999999999997 112.522 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -84.62 121.94 28.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 73.239999999999995 110.89 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.16 -175.33 21.98 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.726 -0.75 . . . . 24.32 112.486 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -157.24 157.53 34.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.33 . . . . 61.25 110.954 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.0 t -108.0 108.58 19.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 65.109999999999999 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.418 ' HB2' HD12 ' A' ' 34' ' ' LEU . 24.7 m-85 -128.17 111.0 12.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.929 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.95 -161.09 47.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 75.549999999999997 112.516 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -17.79 37.29 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.599 2.2 . . . . 73.329999999999998 112.325 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -116.24 141.07 48.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 72.219999999999999 110.896 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.2 t -76.78 126.73 31.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 45.109999999999999 110.901 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 29' ' ' TYR . 13.0 mt -115.94 111.6 20.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 70.219999999999999 110.93 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.7 m -66.84 106.7 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 55.399999999999999 110.882 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 65.299999999999997 110.919 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.815 0.341 . . . . 61.140000000000001 110.872 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.1 t -80.33 -36.59 33.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 65.219999999999999 110.907 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.1 ptm -161.06 154.91 18.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.541 0.686 . . . . 74.120000000000005 110.854 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 128.22 15.68 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.676 2.251 . . . . 51.450000000000003 112.367 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.4 169.63 8.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 74.200000000000003 110.874 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -145.5 126.93 14.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 63.399999999999999 110.848 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.8 p -73.29 -35.61 66.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 73.140000000000001 111.083 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -73.34 -23.06 60.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 64.450000000000003 111.091 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -91.41 131.72 36.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.328 -0.396 . . . . 61.420000000000002 110.877 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -94.28 -32.22 13.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 72.530000000000001 110.829 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -80.72 -15.21 57.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 74.140000000000001 110.911 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.9 tpt -65.02 -42.23 94.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 45.43 110.893 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.99 -35.46 46.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 65.439999999999998 111.011 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -51.96 -52.55 49.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 73.140000000000001 110.894 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -67.34 -41.46 85.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 62.520000000000003 110.889 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.7 t -50.41 -35.8 30.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 44.119999999999997 110.902 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -77.46 -37.79 50.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 74.329999999999998 110.867 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -64.12 -49.38 72.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 73.150000000000006 110.915 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.6 t -53.46 -35.88 61.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 74.319999999999993 110.862 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.7 m -72.5 -27.35 62.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 71.439999999999998 110.915 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.6 -72.04 0.19 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 71.209999999999994 112.484 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.69 172.24 30.42 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.782 -0.723 . . . . 73.319999999999993 112.475 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -51.77 118.85 3.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 72.329999999999998 110.891 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.66 -20.41 41.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 75.049999999999997 112.494 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -92.62 119.02 31.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 73.239999999999995 110.896 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.32 171.67 17.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 24.32 112.474 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -146.65 156.59 43.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 61.25 110.955 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.1 t -108.43 108.84 19.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 65.109999999999999 110.927 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.4 ' HB2' HD12 ' A' ' 34' ' ' LEU . 39.3 m-85 -129.55 110.36 11.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 74.010000000000005 110.914 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.55 -161.01 46.05 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 75.549999999999997 112.536 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -18.31 36.8 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 73.329999999999998 112.289 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -114.95 148.13 39.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 72.219999999999999 110.901 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.3 t -84.22 128.21 34.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 45.109999999999999 110.85 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' A' ' 29' ' ' TYR . 12.8 mt -115.94 119.27 35.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 70.219999999999999 110.939 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.4 m -77.75 152.08 33.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 55.399999999999999 110.852 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.7 mtm-85 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.12 -0.491 . . . . 65.299999999999997 110.882 -179.927 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 ptm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.762 0.315 . . . . 61.140000000000001 110.962 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.1 t -71.36 -35.48 71.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 65.219999999999999 110.94 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.4 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.2 ptm -162.24 154.84 16.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.594 0.711 . . . . 74.120000000000005 110.853 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 53.3 Cg_endo -69.79 128.14 15.58 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.691 2.261 . . . . 51.450000000000003 112.313 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.44 170.3 8.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 74.200000000000003 110.874 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -145.5 121.42 10.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 63.399999999999999 110.902 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -68.48 -36.39 78.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 73.140000000000001 111.104 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.1 p -72.21 -22.17 61.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 64.450000000000003 111.109 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -90.13 132.58 35.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 61.420000000000002 110.851 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -94.17 -35.46 12.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 72.530000000000001 110.926 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -81.37 -15.16 56.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.140000000000001 110.896 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.7 tpt -62.99 -40.6 98.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 45.43 110.863 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.3 -35.41 50.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 65.439999999999998 111.067 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.7 ttp85 -51.91 -53.29 42.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 73.140000000000001 110.903 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -66.24 -40.7 90.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 62.520000000000003 110.898 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.9 t -50.65 -42.23 56.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 44.119999999999997 110.801 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -73.47 -36.57 65.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 74.329999999999998 110.916 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.56 -50.74 70.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 73.150000000000006 110.82 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.1 t -53.74 -35.49 61.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 74.319999999999993 110.903 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.6 m -70.13 -27.5 64.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 71.439999999999998 110.885 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.0 -71.89 0.18 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 71.209999999999994 112.523 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.68 172.19 30.41 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.784 -0.722 . . . . 73.319999999999993 112.469 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -51.87 118.8 3.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 72.329999999999998 110.927 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.64 -20.38 41.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 75.049999999999997 112.487 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -92.97 119.84 32.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.872 0.368 . . . . 73.239999999999995 110.864 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.63 180.0 18.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 24.32 112.481 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -157.34 152.5 26.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 61.25 110.928 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.6 t -104.7 108.9 20.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 65.109999999999999 110.85 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -126.49 107.57 10.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 74.010000000000005 110.975 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.63 -157.7 47.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 75.549999999999997 112.49 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -19.91 35.77 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.628 2.218 . . . . 73.329999999999998 112.353 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -110.92 150.26 29.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 72.219999999999999 110.877 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.7 t -90.2 119.39 30.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 45.109999999999999 110.85 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.5 mt -106.63 120.45 42.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 70.219999999999999 110.883 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 30.3 m -80.88 151.3 28.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 55.399999999999999 110.896 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 65.299999999999997 110.879 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 tmm? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.808 0.337 . . . . 61.140000000000001 110.908 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.3 t -73.25 -35.81 66.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 65.219999999999999 110.869 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.4 ptm -160.34 154.37 19.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.527 0.679 . . . . 74.120000000000005 110.941 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 128.13 15.59 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.662 2.241 . . . . 51.450000000000003 112.422 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.19 169.39 8.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 74.200000000000003 110.876 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -145.4 143.89 30.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 63.399999999999999 110.892 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.2 p -85.6 -35.65 20.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 73.140000000000001 111.135 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -72.79 -23.02 60.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 64.450000000000003 111.158 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -88.19 131.5 34.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 61.420000000000002 110.933 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -94.06 -35.15 12.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 72.530000000000001 110.929 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -81.36 -15.13 56.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 74.140000000000001 110.876 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.5 tpt -61.83 -40.95 97.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 45.43 110.815 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.62 -35.46 54.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 65.439999999999998 111.087 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -57.12 12.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 73.140000000000001 110.927 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -61.02 -40.83 95.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 62.520000000000003 110.915 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.6 t -50.8 -40.31 55.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 44.119999999999997 110.903 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -74.93 -36.37 62.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.329999999999998 110.82 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -63.57 -51.09 66.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 73.150000000000006 110.831 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -53.73 -35.5 61.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 74.319999999999993 110.894 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 92.6 m -71.16 -27.28 63.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 71.439999999999998 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.52 -72.82 0.2 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.809 -0.71 . . . . 71.209999999999994 112.519 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -146.99 171.99 27.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 73.319999999999993 112.496 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -53.34 118.47 3.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.34 . . . . 72.329999999999998 110.87 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.5 -20.44 42.11 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.749 -0.738 . . . . 75.049999999999997 112.463 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 -88.81 119.54 29.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.895 0.379 . . . . 73.239999999999995 110.817 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.76 -176.51 19.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 24.32 112.524 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -157.37 155.33 30.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.838 0.351 . . . . 61.25 110.917 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 46.8 t -106.22 108.87 20.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 65.109999999999999 110.885 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.403 ' HB2' HD12 ' A' ' 34' ' ' LEU . 58.2 m-85 -126.33 105.24 8.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 74.010000000000005 110.893 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.04 -159.65 49.38 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.647 -0.787 . . . . 75.549999999999997 112.493 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -12.09 32.19 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.701 2.267 . . . . 73.329999999999998 112.363 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -117.37 138.9 51.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 72.219999999999999 110.912 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 t -82.38 117.47 22.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 45.109999999999999 110.918 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.403 HD12 ' HB2' ' A' ' 29' ' ' TYR . 18.7 mt -105.41 115.6 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 70.219999999999999 110.878 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 35.8 m -73.09 104.86 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 55.399999999999999 110.932 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 65.299999999999997 110.849 -179.931 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.822 0.344 . . . . 61.140000000000001 110.871 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.9 t -80.43 -35.59 34.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 65.219999999999999 110.872 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.6 ptm -163.23 154.69 14.75 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 74.120000000000005 110.88 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 128.13 15.6 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.753 2.302 . . . . 51.450000000000003 112.322 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.07 168.74 8.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 74.200000000000003 110.857 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -145.57 120.57 10.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 63.399999999999999 110.809 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.9 p -67.19 -35.85 80.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 73.140000000000001 111.083 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.58 HG23 ' OD2' ' A' ' 9' ' ' ASP . 10.6 t -72.97 -23.05 60.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.323 -0.399 . . . . 64.450000000000003 111.146 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.58 ' OD2' HG23 ' A' ' 8' ' ' THR . 24.7 m-20 -88.13 132.51 34.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 61.420000000000002 110.922 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.1 m80 -94.13 -35.56 12.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 72.530000000000001 110.822 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.29 -15.19 56.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 74.140000000000001 110.884 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.1 tpt -63.16 -42.51 99.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 45.43 110.863 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.73 -35.16 42.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 65.439999999999998 111.033 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -51.85 -51.59 55.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.412 . . . . 73.140000000000001 110.904 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -68.16 -41.65 81.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 62.520000000000003 110.905 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.1 t -50.59 -36.03 32.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 44.119999999999997 110.835 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -76.3 -37.27 57.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.329999999999998 110.901 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.09 -50.9 66.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 73.150000000000006 110.927 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -53.59 -35.49 60.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.319999999999993 110.94 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.0 m -72.26 -27.33 62.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 71.439999999999998 110.877 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 159.87 -72.47 0.22 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 71.209999999999994 112.454 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -143.3 174.65 23.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.727 . . . . 73.319999999999993 112.539 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.38 122.58 12.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.804 0.335 . . . . 72.329999999999998 110.916 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.43 -20.44 50.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 75.049999999999997 112.521 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.0 mtt180 -84.27 119.09 24.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 73.239999999999995 110.919 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.92 -173.66 16.94 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.753 -0.737 . . . . 24.32 112.527 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -157.33 158.59 36.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 61.25 110.881 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 t -107.58 108.79 20.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 65.109999999999999 110.902 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -126.61 115.13 19.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 74.010000000000005 110.88 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.28 -158.9 53.76 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.694 -0.765 . . . . 75.549999999999997 112.45 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -13.75 34.97 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.656 2.237 . . . . 73.329999999999998 112.31 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -112.96 165.55 12.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 72.219999999999999 110.896 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.0 t -103.97 116.32 32.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 45.109999999999999 110.956 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.0 mt -104.53 119.43 38.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 70.219999999999999 110.929 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.6 m -77.32 105.7 8.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 55.399999999999999 110.937 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 65.299999999999997 110.858 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.817 0.341 . . . . 61.140000000000001 110.904 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.1 t -81.59 -35.26 30.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 65.219999999999999 110.934 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.407 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 20.8 ptm -167.3 154.89 8.46 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.611 0.719 . . . . 74.120000000000005 110.835 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.41 ' O ' ' HE1' ' A' ' 12' ' ' MET . 53.6 Cg_endo -69.77 128.11 15.54 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 51.450000000000003 112.34 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.56 170.05 8.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 74.200000000000003 110.932 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -145.35 125.5 13.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 63.399999999999999 110.935 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.5 p -73.64 -35.45 65.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 73.140000000000001 111.137 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.6 t -72.43 -22.95 61.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 64.450000000000003 111.138 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -88.07 134.41 33.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 61.420000000000002 110.807 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -94.08 -35.9 12.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 72.530000000000001 110.87 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -81.36 -15.18 56.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 74.140000000000001 110.929 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.41 ' HE1' ' O ' ' A' ' 4' ' ' PRO . 10.2 tpt -64.76 -36.1 83.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 45.43 110.881 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.15 -35.74 60.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 65.439999999999998 111.082 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -58.77 -59.11 5.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 73.140000000000001 110.835 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.04 -43.06 73.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 62.520000000000003 110.887 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.4 t -51.3 -49.3 61.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.293 -0.412 . . . . 44.119999999999997 110.869 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -68.0 -35.41 78.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.329999999999998 110.956 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.61 -52.46 65.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 73.150000000000006 110.897 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.0 t -53.88 -35.69 61.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 74.319999999999993 110.871 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.5 m -68.58 -27.42 66.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 71.439999999999998 110.954 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.12 -71.97 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.708 -0.758 . . . . 71.209999999999994 112.454 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.51 172.16 30.29 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.706 -0.759 . . . . 73.319999999999993 112.447 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -51.87 118.97 3.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 72.329999999999998 110.873 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.61 -20.35 42.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.794 -0.717 . . . . 75.049999999999997 112.497 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -92.73 120.08 32.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 73.239999999999995 110.847 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.27 -178.26 17.68 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.733 -0.746 . . . . 24.32 112.497 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.39 154.09 28.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 61.25 110.861 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.2 t -104.65 108.92 20.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 65.109999999999999 110.924 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -127.33 111.14 13.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 74.010000000000005 110.926 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.31 -158.17 51.58 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.713 -0.756 . . . . 75.549999999999997 112.448 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -18.99 36.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 73.329999999999998 112.326 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -110.49 160.27 16.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 72.219999999999999 110.908 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.7 t -98.69 118.89 36.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 45.109999999999999 110.881 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.8 mt -106.32 124.98 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 70.219999999999999 110.851 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.7 m -85.58 134.5 34.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 55.399999999999999 110.927 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 ptp85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 65.299999999999997 110.857 -179.906 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.821 0.343 . . . . 61.140000000000001 110.895 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.5 t -80.67 -35.73 33.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 65.219999999999999 110.849 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.3 ptm -161.6 154.72 17.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 74.120000000000005 110.871 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.404 ' O ' ' HE2' ' A' ' 12' ' ' MET . 53.7 Cg_endo -69.75 128.14 15.61 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.701 2.267 . . . . 51.450000000000003 112.338 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.57 169.63 8.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 74.200000000000003 110.871 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -145.43 111.06 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 63.399999999999999 110.872 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.5 p -59.38 -35.53 74.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 73.140000000000001 111.125 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -72.5 -22.94 60.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 64.450000000000003 111.125 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -89.1 132.82 34.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 61.420000000000002 110.864 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -94.15 -35.66 12.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 72.530000000000001 110.85 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -81.31 -15.23 56.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 74.140000000000001 110.907 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.404 ' HE2' ' O ' ' A' ' 4' ' ' PRO . 9.7 tpt -63.58 -41.03 98.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 45.43 110.895 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.7 -35.37 42.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 65.439999999999998 111.134 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.9 ttp85 -52.06 -50.7 61.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 73.140000000000001 110.869 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -69.1 -40.96 78.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 62.520000000000003 110.845 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.8 t -50.38 -40.54 49.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 44.119999999999997 110.881 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -74.92 -36.58 62.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 74.329999999999998 110.825 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -63.05 -50.17 71.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 73.150000000000006 110.906 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 t -53.86 -35.19 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 74.319999999999993 110.898 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.9 m -70.94 -27.32 63.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 71.439999999999998 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.03 -71.84 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 71.209999999999994 112.472 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.74 172.44 30.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 73.319999999999993 112.448 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -52.06 118.83 3.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 72.329999999999998 110.945 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.71 -20.5 41.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 75.049999999999997 112.449 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.6 mtt-85 -93.03 119.77 32.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.39 . . . . 73.239999999999995 110.847 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.77 -179.94 18.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 24.32 112.49 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -157.37 151.88 25.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 61.25 110.855 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.2 t -105.07 108.93 20.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 65.109999999999999 110.856 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.421 ' HB2' HD12 ' A' ' 34' ' ' LEU . 53.2 m-85 -125.92 107.37 10.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 74.010000000000005 110.91 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.79 -157.46 47.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 75.549999999999997 112.483 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -20.13 35.09 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 73.329999999999998 112.368 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -110.73 148.66 31.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 72.219999999999999 110.96 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.3 t -89.16 118.93 29.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 45.109999999999999 110.858 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.421 HD12 ' HB2' ' A' ' 29' ' ' TYR . 18.5 mt -106.35 118.98 38.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.467 . . . . 70.219999999999999 110.9 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.3 m -77.73 122.11 24.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 55.399999999999999 110.842 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 65.299999999999997 110.902 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 ptm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.846 0.355 . . . . 61.140000000000001 110.85 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.2 t -52.04 -35.94 48.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 65.219999999999999 110.856 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.6 ptm -161.81 154.83 17.35 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.578 0.704 . . . . 74.120000000000005 110.831 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 128.2 15.67 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 51.450000000000003 112.305 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.01 169.92 8.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 74.200000000000003 110.822 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -145.53 142.31 29.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 63.399999999999999 110.862 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.9 p -85.9 -36.11 20.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 73.140000000000001 111.165 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.413 HG23 ' OD2' ' A' ' 9' ' ' ASP . 8.9 t -75.4 -23.03 57.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 64.450000000000003 111.037 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.413 ' OD2' HG23 ' A' ' 8' ' ' THR . 1.2 m-20 -85.06 131.62 34.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 61.420000000000002 110.902 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -94.01 -36.05 12.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 72.530000000000001 110.901 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -81.36 -15.23 55.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.140000000000001 110.911 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.0 tpt -63.91 -40.53 96.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 45.43 110.911 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.76 -38.82 57.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 65.439999999999998 111.133 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -55.96 24.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 73.140000000000001 110.885 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -59.27 -42.39 91.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 62.520000000000003 110.833 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.0 t -50.76 -44.97 58.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 44.119999999999997 110.858 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -71.61 -36.86 70.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 74.329999999999998 110.865 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.37 -50.65 70.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 73.150000000000006 110.853 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.6 t -53.89 -35.87 62.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.319999999999993 110.939 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.1 m -67.92 -27.43 66.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 71.439999999999998 110.857 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.67 -65.68 0.2 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 71.209999999999994 112.494 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.71 -162.84 10.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 73.319999999999993 112.481 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -76.5 116.99 17.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.352 . . . . 72.329999999999998 110.916 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.57 -20.45 41.91 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.835 -0.698 . . . . 75.049999999999997 112.529 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.9 mtt-85 -88.3 119.89 29.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.839 0.352 . . . . 73.239999999999995 110.867 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.01 -178.48 17.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.792 -0.718 . . . . 24.32 112.455 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.34 153.49 27.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.866 0.365 . . . . 61.25 110.883 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.5 t -105.28 108.89 20.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 65.109999999999999 110.859 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -127.76 108.29 10.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 74.010000000000005 110.912 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.23 -158.36 49.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.657 -0.782 . . . . 75.549999999999997 112.531 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.59 -19.86 36.38 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.715 2.276 . . . . 73.329999999999998 112.408 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -110.31 151.08 27.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 72.219999999999999 110.988 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.7 t -90.95 118.13 30.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 45.109999999999999 110.855 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.5 mt -103.98 121.78 43.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 70.219999999999999 110.95 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.2 m -85.58 128.49 34.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 55.399999999999999 110.872 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 65.299999999999997 110.876 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.816 0.341 . . . . 61.140000000000001 110.892 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.5 t -65.65 -35.42 80.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 65.219999999999999 110.876 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.4 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.3 ptm -162.67 154.82 15.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.587 0.708 . . . . 74.120000000000005 110.86 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 53.4 Cg_endo -69.78 128.25 15.74 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.649 2.233 . . . . 51.450000000000003 112.32 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.89 169.63 8.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.200000000000003 110.908 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -145.51 128.25 16.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 63.399999999999999 110.87 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.2 p -73.86 -35.59 64.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 73.140000000000001 111.155 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -73.57 -22.93 59.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 64.450000000000003 111.089 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -88.0 132.33 34.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 61.420000000000002 110.856 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -94.15 -35.28 12.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 72.530000000000001 110.855 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -81.26 -15.24 56.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 74.140000000000001 110.863 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.7 tpt -64.07 -40.24 95.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 45.43 110.956 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.18 -35.46 49.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 65.439999999999998 111.134 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.81 -56.58 17.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.140000000000001 110.931 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -60.77 -41.77 96.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 62.520000000000003 110.898 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.0 t -50.49 -41.66 53.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 44.119999999999997 110.9 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -73.83 -36.42 64.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 74.329999999999998 110.866 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.71 -50.6 70.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 73.150000000000006 110.837 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 t -53.9 -35.26 61.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 74.319999999999993 110.889 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.2 m -70.28 -27.41 64.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 71.439999999999998 110.899 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.1 -71.87 0.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 71.209999999999994 112.466 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.74 172.18 30.46 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 73.319999999999993 112.498 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -51.79 118.9 3.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.332 . . . . 72.329999999999998 110.865 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.59 -20.51 41.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 75.049999999999997 112.524 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -92.83 119.58 32.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 73.239999999999995 110.887 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.9 179.92 18.09 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.752 -0.737 . . . . 24.32 112.457 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -157.34 152.16 25.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.368 . . . . 61.25 110.879 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.3 t -104.35 108.75 20.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 65.109999999999999 110.854 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.427 ' HB2' HD12 ' A' ' 34' ' ' LEU . 53.4 m-85 -125.8 107.13 10.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 74.010000000000005 111.016 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.43 -157.47 47.93 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.792 -0.718 . . . . 75.549999999999997 112.542 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 -19.91 35.48 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.729 2.286 . . . . 73.329999999999998 112.343 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -110.59 150.03 29.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 72.219999999999999 110.903 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.9 t -90.45 119.56 30.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 45.109999999999999 110.83 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.427 HD12 ' HB2' ' A' ' 29' ' ' TYR . 18.4 mt -107.64 120.44 42.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 70.219999999999999 110.887 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 28.7 m -80.42 152.02 29.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 55.399999999999999 110.86 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 65.299999999999997 110.894 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 ptm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.854 0.359 . . . . 61.140000000000001 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.2 t -52.58 -35.85 54.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 65.219999999999999 110.847 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.4 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.6 ptm -162.32 154.66 16.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.644 0.735 . . . . 74.120000000000005 110.82 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 53.3 Cg_endo -69.76 128.17 15.65 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.723 2.282 . . . . 51.450000000000003 112.322 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.39 170.49 8.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 74.200000000000003 110.855 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -145.56 123.07 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 63.399999999999999 110.851 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.0 p -71.06 -35.72 72.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 73.140000000000001 111.124 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.51 HG23 ' OD2' ' A' ' 9' ' ' ASP . 9.9 t -74.1 -22.91 59.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.214 -0.448 . . . . 64.450000000000003 111.157 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.51 ' OD2' HG23 ' A' ' 8' ' ' THR . 32.9 m-20 -89.24 132.82 34.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 61.420000000000002 110.873 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -94.17 -35.49 12.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 72.530000000000001 110.821 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -81.3 -15.2 56.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 74.140000000000001 110.902 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.3 tpt -63.37 -41.66 98.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 45.43 110.835 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.78 -35.23 61.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 65.439999999999998 111.077 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -46.1 64.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 73.140000000000001 110.938 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -74.51 -39.63 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 62.520000000000003 110.948 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 t -50.55 -44.16 56.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 44.119999999999997 110.843 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -72.6 -36.34 68.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.329999999999998 110.83 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -62.6 -50.92 69.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 73.150000000000006 110.897 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.7 t -54.03 -35.12 61.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 74.319999999999993 110.887 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 92.8 m -69.77 -27.4 64.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 71.439999999999998 110.885 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.94 -71.53 0.19 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 71.209999999999994 112.464 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.75 172.12 30.48 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 73.319999999999993 112.53 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -52.05 118.86 3.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.34 . . . . 72.329999999999998 110.909 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.57 -20.44 41.94 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.709 -0.758 . . . . 75.049999999999997 112.449 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -92.25 119.08 31.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 73.239999999999995 110.858 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.11 169.44 17.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 24.32 112.456 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -144.24 157.81 44.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 61.25 110.908 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.4 t -110.25 108.81 19.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 65.109999999999999 110.868 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -130.28 106.8 8.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 74.010000000000005 110.98 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.05 -160.86 41.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 75.549999999999997 112.486 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -19.06 36.5 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.735 2.29 . . . . 73.329999999999998 112.343 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -111.95 149.56 31.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 72.219999999999999 110.892 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.1 t -88.19 123.7 33.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 45.109999999999999 110.856 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.8 mt -109.24 120.4 42.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 70.219999999999999 110.931 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.7 m -82.56 152.03 26.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 55.399999999999999 110.872 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 65.299999999999997 110.9 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.834 0.349 . . . . 61.140000000000001 110.833 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.5 t -74.67 -35.49 62.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 65.219999999999999 110.922 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.1 ptm -161.66 154.37 17.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.525 0.679 . . . . 74.120000000000005 110.927 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 128.18 15.75 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.709 2.273 . . . . 51.450000000000003 112.33 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.75 169.63 8.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.200000000000003 110.891 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -145.43 132.92 20.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 63.399999999999999 110.846 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 59.3 p -77.02 -35.77 56.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 73.140000000000001 111.129 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.0 t -72.68 -22.98 60.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 64.450000000000003 111.152 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.14 131.61 35.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 61.420000000000002 110.822 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -94.24 -34.95 12.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 72.530000000000001 110.841 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -81.24 -15.14 56.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 74.140000000000001 110.97 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.6 tpt -61.49 -41.82 97.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 45.43 110.901 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.21 -35.86 50.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 65.439999999999998 111.097 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.21 -50.05 62.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 73.140000000000001 110.912 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -68.93 -41.43 78.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 62.520000000000003 110.955 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.2 t -50.4 -36.09 31.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 44.119999999999997 110.885 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -78.2 -36.04 47.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 74.329999999999998 110.957 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -63.98 -49.95 70.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 73.150000000000006 110.911 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 t -53.82 -34.93 60.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 74.319999999999993 110.876 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 96.9 m -71.63 -27.46 63.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 71.439999999999998 110.876 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.6 -71.41 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 71.209999999999994 112.477 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.72 171.82 30.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.809 -0.71 . . . . 73.319999999999993 112.514 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 118.86 3.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.807 0.337 . . . . 72.329999999999998 110.909 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.5 -20.42 42.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.682 -0.77 . . . . 75.049999999999997 112.478 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -92.08 119.32 31.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 73.239999999999995 110.858 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.28 -179.75 19.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.796 -0.716 . . . . 24.32 112.555 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.31 152.43 25.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 61.25 110.882 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 46.0 t -104.5 108.65 20.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 65.109999999999999 110.843 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.428 ' HB2' HD12 ' A' ' 34' ' ' LEU . 44.6 m-85 -122.23 104.91 9.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 74.010000000000005 110.957 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.96 -156.81 46.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 75.549999999999997 112.54 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -19.58 35.83 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 73.329999999999998 112.353 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -111.37 143.86 41.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 72.219999999999999 110.989 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.5 t -85.5 124.03 31.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 45.109999999999999 110.907 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.428 HD12 ' HB2' ' A' ' 29' ' ' TYR . 9.6 mt -116.8 116.73 28.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 70.219999999999999 110.928 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.9 m -70.94 120.28 16.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 55.399999999999999 110.866 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 65.299999999999997 110.921 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.737 0.303 . . . . 61.140000000000001 110.885 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.9 t -72.93 -37.06 67.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 65.219999999999999 110.974 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.0 ptm -160.61 154.83 19.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.517 0.675 . . . . 74.120000000000005 110.939 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 128.18 15.59 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.685 2.257 . . . . 51.450000000000003 112.349 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.71 168.36 9.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 74.200000000000003 110.906 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -145.43 120.77 10.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 63.399999999999999 110.951 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.3 p -67.32 -36.16 80.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 73.140000000000001 111.175 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.545 HG23 ' OD2' ' A' ' 9' ' ' ASP . 10.1 t -72.99 -22.97 60.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 64.450000000000003 111.189 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.545 ' OD2' HG23 ' A' ' 8' ' ' THR . 26.4 m-20 -88.08 132.19 34.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 61.420000000000002 110.849 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -93.97 -35.93 12.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 72.530000000000001 110.946 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -81.39 -15.17 56.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 74.140000000000001 110.952 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.4 tpt -64.46 -42.61 95.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 45.43 110.856 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.68 -35.43 42.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 65.439999999999998 111.02 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -51.9 -53.46 40.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 73.140000000000001 110.86 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt -65.36 -41.95 93.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 62.520000000000003 110.881 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.8 t -50.23 -35.82 28.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 44.119999999999997 110.899 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.37 -37.76 51.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 74.329999999999998 110.845 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -64.55 -49.16 72.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 73.150000000000006 110.838 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 t -53.56 -35.64 61.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 74.319999999999993 110.843 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 97.9 m -72.71 -27.48 62.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 71.439999999999998 110.884 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.63 -71.86 0.19 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.727 -0.749 . . . . 71.209999999999994 112.503 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.75 172.27 30.46 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.743 -0.741 . . . . 73.319999999999993 112.513 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -51.82 118.86 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 72.329999999999998 110.971 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.59 -20.43 41.94 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.736 -0.745 . . . . 75.049999999999997 112.514 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -92.5 119.02 31.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 73.239999999999995 110.862 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.11 169.72 17.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 24.32 112.465 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -144.25 158.24 43.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.772 0.32 . . . . 61.25 110.881 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 38.5 t -110.2 108.8 19.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 65.109999999999999 110.923 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.4 ' HB2' HD12 ' A' ' 34' ' ' LEU . 47.2 m-85 -130.14 109.09 10.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 74.010000000000005 110.917 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.37 -161.28 42.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 75.549999999999997 112.498 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -18.41 37.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 73.329999999999998 112.37 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -114.23 149.23 36.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 72.219999999999999 110.927 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.8 t -85.72 126.99 34.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 45.109999999999999 110.908 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' A' ' 29' ' ' TYR . 13.6 mt -114.06 119.98 39.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 70.219999999999999 110.922 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.0 m -79.01 151.99 31.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 55.399999999999999 110.857 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 65.299999999999997 110.91 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ptt? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.806 0.336 . . . . 61.140000000000001 110.87 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.3 t -82.96 -36.62 24.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 65.219999999999999 110.914 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.4 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.4 ptm -160.9 154.75 18.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 74.120000000000005 110.871 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 53.9 Cg_endo -69.72 128.23 15.76 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.693 2.262 . . . . 51.450000000000003 112.36 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.88 168.9 8.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 74.200000000000003 110.89 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -145.51 118.92 9.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 63.399999999999999 110.848 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.7 p -65.91 -35.76 81.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 73.140000000000001 111.137 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.545 HG23 ' OD2' ' A' ' 9' ' ' ASP . 15.2 t -73.11 -23.0 60.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 64.450000000000003 111.149 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.545 ' OD2' HG23 ' A' ' 8' ' ' THR . 34.1 m-20 -88.53 132.54 34.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.284 -0.416 . . . . 61.420000000000002 110.853 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -94.12 -35.9 12.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 72.530000000000001 110.871 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -81.35 -15.28 55.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 74.140000000000001 110.91 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.5 tpt -64.15 -42.91 96.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 45.43 110.845 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.67 -35.23 41.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 65.439999999999998 111.101 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -51.9 -51.34 57.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.140000000000001 110.88 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -67.66 -41.53 83.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 62.520000000000003 110.986 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 t -50.35 -35.84 29.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 44.119999999999997 110.892 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -77.3 -37.86 51.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 74.329999999999998 110.859 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -63.91 -49.34 73.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 73.150000000000006 110.903 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.4 t -53.55 -35.58 60.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 74.319999999999993 110.95 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.0 m -72.34 -27.36 62.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 71.439999999999998 110.907 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.88 -72.09 0.18 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.778 -0.725 . . . . 71.209999999999994 112.467 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.73 172.39 30.44 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 73.319999999999993 112.483 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -51.81 118.96 3.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.845 0.355 . . . . 72.329999999999998 110.839 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.62 -20.51 41.63 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.736 -0.745 . . . . 75.049999999999997 112.499 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -92.74 119.05 31.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 73.239999999999995 110.862 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.33 169.72 17.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 24.32 112.531 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -144.78 156.43 44.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 61.25 110.87 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.2 t -108.93 108.89 19.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 65.109999999999999 110.938 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.443 ' HB2' HD12 ' A' ' 34' ' ' LEU . 53.4 m-85 -129.5 109.89 11.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 74.010000000000005 110.941 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.4 -160.82 46.15 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 75.549999999999997 112.445 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -18.85 37.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.713 2.276 . . . . 73.329999999999998 112.378 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -113.59 148.4 36.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 72.219999999999999 110.896 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.7 t -85.9 127.25 34.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 45.109999999999999 110.873 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.443 HD12 ' HB2' ' A' ' 29' ' ' TYR . 17.8 mt -114.19 119.61 37.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 70.219999999999999 110.928 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.0 m -78.33 152.02 32.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 55.399999999999999 110.897 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 65.299999999999997 110.894 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ppp? . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.812 0.339 . . . . 61.140000000000001 110.838 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.7 t -83.89 -35.33 24.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 65.219999999999999 110.844 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.1 ptm -163.38 154.77 14.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.733 . . . . 74.120000000000005 110.877 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 128.05 15.46 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.682 2.255 . . . . 51.450000000000003 112.375 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.22 169.7 8.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 74.200000000000003 110.9 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -145.44 113.47 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 63.399999999999999 110.817 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.3 p -61.05 -35.72 77.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 73.140000000000001 111.145 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.577 HG23 ' OD2' ' A' ' 9' ' ' ASP . 11.7 t -72.37 -23.09 61.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 64.450000000000003 111.105 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.577 ' OD2' HG23 ' A' ' 8' ' ' THR . 28.0 m-20 -88.83 132.83 34.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 61.420000000000002 110.92 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -94.15 -35.77 12.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 72.530000000000001 110.851 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -81.33 -15.25 55.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 74.140000000000001 110.972 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.5 tpt -63.35 -41.73 98.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 45.43 110.885 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.66 -35.25 41.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 65.439999999999998 111.111 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -49.07 63.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 73.140000000000001 110.948 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -70.15 -41.83 73.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 62.520000000000003 110.902 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.2 t -50.55 -37.39 39.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 44.119999999999997 110.811 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -76.13 -36.82 58.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 74.329999999999998 110.83 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.61 -49.74 72.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 73.150000000000006 110.928 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -53.66 -35.5 61.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 74.319999999999993 110.896 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.1 m -71.61 -27.53 63.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.439999999999998 110.946 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.02 -72.12 0.18 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 71.209999999999994 112.478 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.68 172.38 30.4 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.687 -0.768 . . . . 73.319999999999993 112.425 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 118.92 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 72.329999999999998 110.948 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.67 -20.47 41.62 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 75.049999999999997 112.441 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -93.09 119.66 32.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 73.239999999999995 110.89 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.08 -179.89 17.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 24.32 112.482 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.34 151.51 24.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 61.25 110.908 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.0 t -104.46 108.66 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 65.109999999999999 110.889 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -124.33 107.86 11.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 74.010000000000005 110.921 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.51 -156.72 48.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 75.549999999999997 112.481 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -20.15 35.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.613 2.209 . . . . 73.329999999999998 112.36 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -109.74 153.4 24.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 72.219999999999999 110.938 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.9 t -94.06 119.18 32.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 45.109999999999999 110.836 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.7 mt -108.52 120.21 41.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 70.219999999999999 110.912 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 31.9 m -78.51 152.02 32.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 55.399999999999999 110.961 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 65.299999999999997 110.867 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ptm . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.86 0.362 . . . . 61.140000000000001 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.6 t -79.1 -35.61 42.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 65.219999999999999 110.862 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.4 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.0 ptm -161.73 154.74 17.4 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.56 0.695 . . . . 74.120000000000005 110.853 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 53.9 Cg_endo -69.74 128.28 15.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.744 2.296 . . . . 51.450000000000003 112.319 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.48 171.52 7.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.200000000000003 110.83 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -145.51 127.22 15.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 63.399999999999999 110.83 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.9 p -73.77 -35.51 64.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 73.140000000000001 111.159 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.7 t -74.87 -22.98 58.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 64.450000000000003 111.145 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -90.57 131.25 36.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 61.420000000000002 110.864 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -94.31 -32.38 13.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 72.530000000000001 110.829 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -80.92 -15.11 57.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 74.140000000000001 110.856 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.0 tpt -64.96 -42.29 94.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 45.43 110.87 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.73 -35.35 42.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 65.439999999999998 111.113 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -51.86 -50.9 60.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -69.92 -39.25 76.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 62.520000000000003 110.881 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.0 t -50.57 -43.23 56.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 44.119999999999997 110.923 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -72.54 -36.95 68.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 74.329999999999998 110.872 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.55 -50.65 70.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.150000000000006 110.867 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.7 t -53.88 -35.43 61.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 74.319999999999993 110.893 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.7 m -70.08 -27.51 64.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 71.439999999999998 110.881 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.82 -71.78 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 71.209999999999994 112.503 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.7 172.12 30.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.732 -0.747 . . . . 73.319999999999993 112.44 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -51.83 118.85 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 72.329999999999998 110.976 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.62 -20.48 41.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 75.049999999999997 112.536 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -92.79 119.77 32.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.357 . . . . 73.239999999999995 110.889 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.21 -179.93 18.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.785 -0.721 . . . . 24.32 112.521 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.4 152.74 26.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.816 0.341 . . . . 61.25 110.961 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.8 t -104.29 108.89 20.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 65.109999999999999 110.929 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -127.11 108.34 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 74.010000000000005 110.919 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.22 -157.77 48.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.707 -0.759 . . . . 75.549999999999997 112.579 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -19.62 35.87 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.761 2.307 . . . . 73.329999999999998 112.36 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -110.97 152.52 26.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 72.219999999999999 110.893 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.9 t -92.02 118.54 30.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 45.109999999999999 110.862 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.0 mt -105.27 121.07 43.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 70.219999999999999 110.871 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.4 m -82.49 151.98 26.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 55.399999999999999 110.964 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 65.299999999999997 110.927 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ptm . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.856 0.36 . . . . 61.140000000000001 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 14.8 t -64.18 -36.42 84.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 65.219999999999999 110.859 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.8 ptm -161.76 154.52 17.09 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.711 . . . . 74.120000000000005 110.869 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 128.31 15.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.649 2.233 . . . . 51.450000000000003 112.365 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.7 169.93 8.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 74.200000000000003 110.834 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -145.61 115.12 7.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 63.399999999999999 110.887 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.8 p -63.0 -35.53 80.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 73.140000000000001 111.15 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.579 HG23 ' OD2' ' A' ' 9' ' ' ASP . 11.3 t -73.33 -23.05 60.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 64.450000000000003 111.091 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.579 ' OD2' HG23 ' A' ' 8' ' ' THR . 26.8 m-20 -88.68 132.8 34.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 61.420000000000002 110.909 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -94.21 -35.81 12.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 72.530000000000001 110.85 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -81.38 -15.24 55.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 74.140000000000001 110.89 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.2 tpt -64.51 -42.46 95.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 45.43 110.867 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.51 -35.38 40.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 65.439999999999998 111.134 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -52.05 -50.57 61.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 73.140000000000001 110.864 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -69.65 -39.43 77.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 62.520000000000003 110.878 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 t -50.45 -44.01 55.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 44.119999999999997 110.858 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -72.99 -36.51 67.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 74.329999999999998 110.811 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.37 -51.0 69.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 73.150000000000006 110.857 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 t -53.83 -35.64 61.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 74.319999999999993 110.841 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.2 m -69.6 -27.33 65.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 71.439999999999998 110.853 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.99 -71.85 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.681 -0.771 . . . . 71.209999999999994 112.464 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.71 172.09 30.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.792 -0.718 . . . . 73.319999999999993 112.545 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.8 tttt -51.88 118.88 3.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 72.329999999999998 110.904 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.61 -20.41 41.96 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 75.049999999999997 112.503 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 mtt85 -92.56 119.09 31.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 73.239999999999995 110.946 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.48 172.51 18.23 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 24.32 112.572 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -148.09 155.3 41.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.805 0.336 . . . . 61.25 110.917 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.1 t -107.04 108.77 20.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 65.109999999999999 110.892 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -129.33 110.14 11.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 74.010000000000005 110.959 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.91 -160.19 48.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 75.549999999999997 112.461 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -18.29 36.87 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.676 2.251 . . . . 73.329999999999998 112.346 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -113.48 150.02 33.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 72.219999999999999 110.883 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.9 t -88.29 125.16 34.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 45.109999999999999 110.904 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.3 mt -110.89 121.89 46.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 70.219999999999999 110.922 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.0 m -84.18 126.96 33.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 55.399999999999999 110.972 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 65.299999999999997 110.878 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.894 0.378 . . . . 61.140000000000001 110.907 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.4 t -77.58 -36.02 52.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 65.219999999999999 110.841 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.0 ptm -162.2 154.45 16.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.529 0.681 . . . . 74.120000000000005 110.927 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 128.38 15.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.266 . . . . 51.450000000000003 112.34 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.73 168.78 9.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 74.200000000000003 110.899 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -145.51 117.78 8.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 63.399999999999999 110.903 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.5 t -64.39 -36.12 83.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 73.140000000000001 111.099 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.562 HG23 ' OD2' ' A' ' 9' ' ' ASP . 11.5 t -72.27 -22.22 61.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 64.450000000000003 111.11 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.562 ' OD2' HG23 ' A' ' 8' ' ' THR . 24.8 m-20 -88.65 132.4 34.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 61.420000000000002 110.877 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -94.04 -35.85 12.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 72.530000000000001 110.805 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -81.3 -15.22 56.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.140000000000001 110.877 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.1 tpt -65.7 -38.72 90.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 45.43 110.833 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.15 -35.6 49.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 65.439999999999998 111.058 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -55.76 28.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 73.140000000000001 110.813 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -61.44 -41.43 97.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 62.520000000000003 110.887 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.9 t -50.5 -45.93 56.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 44.119999999999997 110.889 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -71.86 -37.31 70.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 74.329999999999998 110.904 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.33 -51.36 69.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 73.150000000000006 110.883 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 t -53.77 -36.34 62.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 74.319999999999993 110.893 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 95.2 m -67.82 -27.34 66.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 71.439999999999998 110.903 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.69 -68.39 0.2 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 71.209999999999994 112.466 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.78 -169.26 15.34 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.721 -0.752 . . . . 73.319999999999993 112.448 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -69.97 116.71 10.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.793 0.33 . . . . 72.329999999999998 110.94 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.09 -20.5 42.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 75.049999999999997 112.46 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.65 119.98 27.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 73.239999999999995 110.892 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.95 -176.99 17.98 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.687 -0.768 . . . . 24.32 112.446 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.38 154.58 29.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 61.25 110.885 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.8 t -106.75 108.74 20.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 65.109999999999999 110.905 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -128.73 109.78 11.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 74.010000000000005 110.889 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.01 -159.96 47.86 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 75.549999999999997 112.501 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -18.56 36.89 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.675 2.25 . . . . 73.329999999999998 112.399 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -113.54 147.7 37.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 72.219999999999999 110.876 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.4 t -85.33 121.61 28.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 45.109999999999999 110.927 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.2 mt -108.26 117.66 34.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 70.219999999999999 110.97 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.1 m -79.54 119.99 23.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 55.399999999999999 110.914 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 65.299999999999997 110.933 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ptm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.848 0.356 . . . . 61.140000000000001 110.92 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.4 t -51.96 -35.56 46.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 65.219999999999999 110.903 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.4 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 19.0 ptm -161.99 154.62 16.81 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.574 0.702 . . . . 74.120000000000005 110.798 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 53.7 Cg_endo -69.77 128.24 15.73 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.689 2.26 . . . . 51.450000000000003 112.325 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.54 169.6 8.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.200000000000003 110.87 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -145.47 121.39 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 63.399999999999999 110.839 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.2 t -68.56 -35.98 78.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 73.140000000000001 111.131 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.619 HG23 ' OD2' ' A' ' 9' ' ' ASP . 6.3 t -72.29 -22.21 61.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 64.450000000000003 111.183 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.619 ' OD2' HG23 ' A' ' 8' ' ' THR . 1.0 OUTLIER -90.32 132.44 35.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 61.420000000000002 110.816 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -94.28 -35.41 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 72.530000000000001 110.847 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -81.27 -15.19 56.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 74.140000000000001 110.925 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.7 tpt -63.12 -41.7 99.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 45.43 110.894 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.52 -35.57 41.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 65.439999999999998 111.109 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -52.41 -50.19 63.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 73.140000000000001 110.933 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -69.76 -39.93 76.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 62.520000000000003 110.815 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.8 t -50.53 -45.5 56.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 44.119999999999997 110.877 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -71.44 -37.1 71.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.329999999999998 110.874 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -61.44 -51.31 69.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 73.150000000000006 110.898 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.9 t -53.85 -35.61 61.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 74.319999999999993 110.918 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 88.3 m -68.87 -27.37 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 71.439999999999998 110.917 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.96 -71.78 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 71.209999999999994 112.488 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.72 172.18 30.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 73.319999999999993 112.529 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -51.91 118.77 3.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.853 0.359 . . . . 72.329999999999998 110.901 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.73 -20.53 41.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 75.049999999999997 112.408 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -92.73 119.73 32.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 73.239999999999995 110.862 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.51 179.6 18.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 24.32 112.448 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -157.32 152.56 26.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 61.25 110.886 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.1 t -103.99 108.91 20.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 65.109999999999999 110.865 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -127.85 107.88 10.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 74.010000000000005 110.908 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.45 -157.99 48.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 75.549999999999997 112.46 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -19.91 35.54 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.699 2.266 . . . . 73.329999999999998 112.296 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -110.63 151.17 27.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 72.219999999999999 110.929 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.1 t -90.86 118.16 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 45.109999999999999 110.904 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 mt -103.66 120.88 41.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 70.219999999999999 110.961 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.9 m -83.42 151.69 25.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 55.399999999999999 110.869 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 65.299999999999997 110.83 -179.913 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.899 0.38 . . . . 61.140000000000001 110.873 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.1 t -80.45 -35.32 35.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 65.219999999999999 110.871 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.402 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.3 ptm -162.28 154.96 16.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.544 0.688 . . . . 74.120000000000005 110.92 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 53.6 Cg_endo -69.7 128.08 15.57 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.744 2.296 . . . . 51.450000000000003 112.299 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.69 168.65 8.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 74.200000000000003 110.843 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -145.54 112.98 6.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 63.399999999999999 110.866 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.7 p -60.77 -35.52 76.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 73.140000000000001 111.166 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.465 HG23 ' OD2' ' A' ' 9' ' ' ASP . 9.0 t -72.48 -23.05 60.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 64.450000000000003 111.105 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.465 ' OD2' HG23 ' A' ' 8' ' ' THR . 46.8 m-20 -88.49 133.73 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 61.420000000000002 110.866 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -94.19 -35.82 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.530000000000001 110.831 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -81.4 -15.24 55.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 74.140000000000001 110.916 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.2 tpt -64.76 -42.14 95.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 45.43 110.821 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.68 -35.48 42.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.293 -0.412 . . . . 65.439999999999998 111.097 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -53.22 -53.83 44.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 73.140000000000001 110.852 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -65.2 -40.69 94.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 62.520000000000003 110.902 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t -50.48 -42.73 54.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 44.119999999999997 110.914 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -72.34 -36.31 68.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 74.329999999999998 110.845 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -63.16 -50.3 70.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 73.150000000000006 110.86 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.9 t -53.87 -35.04 61.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 74.319999999999993 110.893 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 88.8 m -70.98 -27.47 63.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 71.439999999999998 110.845 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.08 -71.93 0.18 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.751 . . . . 71.209999999999994 112.454 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.62 172.26 30.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 73.319999999999993 112.471 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -51.86 118.84 3.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 72.329999999999998 110.916 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.64 -20.41 41.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 75.049999999999997 112.468 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -92.99 119.59 32.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.346 . . . . 73.239999999999995 110.889 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.31 -179.65 17.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.766 . . . . 24.32 112.393 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -157.28 152.55 26.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 61.25 110.912 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.2 t -104.56 108.85 20.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 65.109999999999999 110.857 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.402 ' HB2' HD12 ' A' ' 34' ' ' LEU . 59.0 m-85 -126.81 109.9 12.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 74.010000000000005 110.949 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.64 -157.52 50.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.814 -0.708 . . . . 75.549999999999997 112.409 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -19.42 36.37 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.271 . . . . 73.329999999999998 112.369 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -109.88 157.26 19.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 72.219999999999999 110.956 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.5 t -96.85 116.34 29.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 45.109999999999999 110.881 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.402 HD12 ' HB2' ' A' ' 29' ' ' TYR . 21.7 mt -103.18 121.66 43.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 70.219999999999999 110.874 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 34.3 m -82.36 152.1 26.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 55.399999999999999 110.851 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 65.299999999999997 110.875 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ptt? . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.775 0.322 . . . . 61.140000000000001 110.939 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 21.8 t -77.44 -35.66 53.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 65.219999999999999 110.926 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.2 ptm -161.01 154.93 18.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.573 0.701 . . . . 74.120000000000005 110.891 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 128.12 15.55 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.671 2.248 . . . . 51.450000000000003 112.374 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.49 171.23 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 74.200000000000003 110.819 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -145.44 127.01 15.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 63.399999999999999 110.859 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.1 p -73.24 -35.6 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 73.140000000000001 111.138 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -75.21 -23.06 57.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 64.450000000000003 111.2 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -89.9 130.65 36.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.463 . . . . 61.420000000000002 110.879 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -94.24 -32.36 13.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 72.530000000000001 110.866 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -80.76 -15.17 57.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 74.140000000000001 110.975 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.3 tpt -64.66 -42.46 95.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 45.43 110.943 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.68 -35.49 42.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 65.439999999999998 111.138 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -51.99 -49.65 62.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 73.140000000000001 110.855 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -70.86 -39.75 72.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 62.520000000000003 110.929 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.5 t -50.55 -39.44 49.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 44.119999999999997 110.813 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -75.32 -37.15 60.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 74.329999999999998 110.861 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -63.18 -49.86 72.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 73.150000000000006 110.917 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.7 t -53.81 -35.35 61.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 74.319999999999993 110.916 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 88.6 m -71.3 -27.42 63.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 71.439999999999998 110.924 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.06 -72.06 0.18 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.788 -0.72 . . . . 71.209999999999994 112.471 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.68 172.42 30.39 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.749 -0.738 . . . . 73.319999999999993 112.487 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -51.86 118.84 3.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.794 0.33 . . . . 72.329999999999998 110.926 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.6 -20.43 41.88 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 75.049999999999997 112.548 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -93.07 119.75 32.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.933 0.396 . . . . 73.239999999999995 110.851 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.68 179.77 18.23 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.803 -0.713 . . . . 24.32 112.519 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.34 152.47 25.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 61.25 110.893 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.6 t -104.81 108.81 20.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 65.109999999999999 110.885 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.421 ' HB2' HD12 ' A' ' 34' ' ' LEU . 53.9 m-85 -125.43 106.76 10.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 74.010000000000005 110.926 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.88 -157.3 46.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 75.549999999999997 112.511 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -20.22 34.89 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.686 2.257 . . . . 73.329999999999998 112.333 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -110.84 148.56 32.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 72.219999999999999 110.925 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.9 t -88.94 119.91 29.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 45.109999999999999 110.906 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.421 HD12 ' HB2' ' A' ' 29' ' ' TYR . 17.7 mt -107.75 120.68 42.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 70.219999999999999 110.902 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.5 m -79.68 152.04 30.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 55.399999999999999 110.905 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 65.299999999999997 110.858 -179.937 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.844 0.354 . . . . 61.140000000000001 110.914 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.8 t -82.73 -36.12 26.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 65.219999999999999 110.865 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.5 ptm -161.15 154.42 18.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.556 0.693 . . . . 74.120000000000005 110.865 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 128.28 15.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.616 2.211 . . . . 51.450000000000003 112.359 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.98 169.77 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 74.200000000000003 110.944 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -145.58 120.8 10.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 63.399999999999999 110.855 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -66.08 -35.56 80.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 73.140000000000001 111.158 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -72.19 -22.33 61.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 64.450000000000003 111.196 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -90.16 132.01 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 61.420000000000002 110.925 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -94.17 -35.46 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 72.530000000000001 110.864 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -81.3 -15.22 56.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 74.140000000000001 110.869 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.4 tpt -62.92 -39.39 94.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 45.43 110.843 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.38 -35.21 62.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 65.439999999999998 111.137 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -49.48 63.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 73.140000000000001 110.852 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -70.2 -40.89 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 62.520000000000003 110.923 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.4 t -50.84 -35.95 35.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 44.119999999999997 110.872 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -78.04 -38.67 44.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 74.329999999999998 110.845 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -62.58 -50.34 71.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 73.150000000000006 110.841 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 t -53.36 -38.0 62.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 74.319999999999993 110.892 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.1 m -68.94 -27.28 65.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 71.439999999999998 110.928 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.26 -66.5 0.22 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.706 -0.759 . . . . 71.209999999999994 112.508 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.61 -167.18 14.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 73.319999999999993 112.462 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -72.17 116.27 12.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.826 0.346 . . . . 72.329999999999998 110.918 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.57 -20.46 41.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 75.049999999999997 112.522 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -84.62 121.94 28.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 73.239999999999995 110.89 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.16 -175.33 21.98 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.726 -0.75 . . . . 24.32 112.486 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -157.24 157.53 34.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.33 . . . . 61.25 110.954 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.0 t -108.0 108.58 19.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 65.109999999999999 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.418 ' HB2' HD12 ' A' ' 34' ' ' LEU . 24.7 m-85 -128.17 111.0 12.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.929 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.95 -161.09 47.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 75.549999999999997 112.516 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -17.79 37.29 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.599 2.2 . . . . 73.329999999999998 112.325 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -116.24 141.07 48.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 72.219999999999999 110.896 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.2 t -76.78 126.73 31.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 45.109999999999999 110.901 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 29' ' ' TYR . 13.0 mt -115.94 111.6 20.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 70.219999999999999 110.93 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.7 m -66.84 106.7 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 55.399999999999999 110.882 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 65.299999999999997 110.919 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.815 0.341 . . . . 61.140000000000001 110.872 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.1 t -80.33 -36.59 33.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 65.219999999999999 110.907 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.1 ptm -161.06 154.91 18.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.541 0.686 . . . . 74.120000000000005 110.854 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 128.22 15.68 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.676 2.251 . . . . 51.450000000000003 112.367 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.4 169.63 8.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 74.200000000000003 110.874 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -145.5 126.93 14.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 63.399999999999999 110.848 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.8 p -73.29 -35.61 66.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 73.140000000000001 111.083 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -73.34 -23.06 60.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 64.450000000000003 111.091 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -91.41 131.72 36.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.328 -0.396 . . . . 61.420000000000002 110.877 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -94.28 -32.22 13.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 72.530000000000001 110.829 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -80.72 -15.21 57.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 74.140000000000001 110.911 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.9 tpt -65.02 -42.23 94.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 45.43 110.893 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.99 -35.46 46.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 65.439999999999998 111.011 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -51.96 -52.55 49.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 73.140000000000001 110.894 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -67.34 -41.46 85.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 62.520000000000003 110.889 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.7 t -50.41 -35.8 30.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 44.119999999999997 110.902 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -77.46 -37.79 50.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 74.329999999999998 110.867 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -64.12 -49.38 72.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 73.150000000000006 110.915 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.6 t -53.46 -35.88 61.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 74.319999999999993 110.862 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.7 m -72.5 -27.35 62.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 71.439999999999998 110.915 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.6 -72.04 0.19 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 71.209999999999994 112.484 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.69 172.24 30.42 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.782 -0.723 . . . . 73.319999999999993 112.475 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -51.77 118.85 3.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 72.329999999999998 110.891 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.66 -20.41 41.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 75.049999999999997 112.494 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -92.62 119.02 31.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 73.239999999999995 110.896 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.32 171.67 17.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 24.32 112.474 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -146.65 156.59 43.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 61.25 110.955 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.1 t -108.43 108.84 19.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 65.109999999999999 110.927 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.4 ' HB2' HD12 ' A' ' 34' ' ' LEU . 39.3 m-85 -129.55 110.36 11.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 74.010000000000005 110.914 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.55 -161.01 46.05 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 75.549999999999997 112.536 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -18.31 36.8 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 73.329999999999998 112.289 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -114.95 148.13 39.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 72.219999999999999 110.901 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.3 t -84.22 128.21 34.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 45.109999999999999 110.85 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' A' ' 29' ' ' TYR . 12.8 mt -115.94 119.27 35.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 70.219999999999999 110.939 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.4 m -77.75 152.08 33.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 55.399999999999999 110.852 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.7 mtm-85 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.12 -0.491 . . . . 65.299999999999997 110.882 -179.927 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 ptm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.762 0.315 . . . . 61.140000000000001 110.962 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.1 t -71.36 -35.48 71.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 65.219999999999999 110.94 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.4 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.2 ptm -162.24 154.84 16.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.594 0.711 . . . . 74.120000000000005 110.853 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 53.3 Cg_endo -69.79 128.14 15.58 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.691 2.261 . . . . 51.450000000000003 112.313 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.44 170.3 8.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 74.200000000000003 110.874 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -145.5 121.42 10.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 63.399999999999999 110.902 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -68.48 -36.39 78.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 73.140000000000001 111.104 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.1 p -72.21 -22.17 61.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 64.450000000000003 111.109 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -90.13 132.58 35.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 61.420000000000002 110.851 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -94.17 -35.46 12.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 72.530000000000001 110.926 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -81.37 -15.16 56.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.140000000000001 110.896 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.7 tpt -62.99 -40.6 98.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 45.43 110.863 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.3 -35.41 50.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 65.439999999999998 111.067 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.7 ttp85 -51.91 -53.29 42.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 73.140000000000001 110.903 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -66.24 -40.7 90.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 62.520000000000003 110.898 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.9 t -50.65 -42.23 56.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 44.119999999999997 110.801 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -73.47 -36.57 65.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 74.329999999999998 110.916 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.56 -50.74 70.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 73.150000000000006 110.82 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.1 t -53.74 -35.49 61.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 74.319999999999993 110.903 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.6 m -70.13 -27.5 64.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 71.439999999999998 110.885 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.0 -71.89 0.18 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 71.209999999999994 112.523 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.68 172.19 30.41 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.784 -0.722 . . . . 73.319999999999993 112.469 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -51.87 118.8 3.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 72.329999999999998 110.927 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.64 -20.38 41.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 75.049999999999997 112.487 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -92.97 119.84 32.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.872 0.368 . . . . 73.239999999999995 110.864 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.63 180.0 18.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 24.32 112.481 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -157.34 152.5 26.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 61.25 110.928 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.6 t -104.7 108.9 20.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 65.109999999999999 110.85 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -126.49 107.57 10.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 74.010000000000005 110.975 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.63 -157.7 47.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 75.549999999999997 112.49 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -19.91 35.77 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.628 2.218 . . . . 73.329999999999998 112.353 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -110.92 150.26 29.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 72.219999999999999 110.877 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.7 t -90.2 119.39 30.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 45.109999999999999 110.85 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.5 mt -106.63 120.45 42.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 70.219999999999999 110.883 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 30.3 m -80.88 151.3 28.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 55.399999999999999 110.896 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 65.299999999999997 110.879 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 tmm? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.808 0.337 . . . . 61.140000000000001 110.908 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.3 t -73.25 -35.81 66.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 65.219999999999999 110.869 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.4 ptm -160.34 154.37 19.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.527 0.679 . . . . 74.120000000000005 110.941 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 128.13 15.59 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.662 2.241 . . . . 51.450000000000003 112.422 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.19 169.39 8.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 74.200000000000003 110.876 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -145.4 143.89 30.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 63.399999999999999 110.892 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.2 p -85.6 -35.65 20.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 73.140000000000001 111.135 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -72.79 -23.02 60.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 64.450000000000003 111.158 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -88.19 131.5 34.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 61.420000000000002 110.933 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -94.06 -35.15 12.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 72.530000000000001 110.929 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -81.36 -15.13 56.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 74.140000000000001 110.876 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.5 tpt -61.83 -40.95 97.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 45.43 110.815 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.62 -35.46 54.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 65.439999999999998 111.087 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -57.12 12.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 73.140000000000001 110.927 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -61.02 -40.83 95.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 62.520000000000003 110.915 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.6 t -50.8 -40.31 55.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 44.119999999999997 110.903 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -74.93 -36.37 62.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.329999999999998 110.82 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -63.57 -51.09 66.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 73.150000000000006 110.831 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -53.73 -35.5 61.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 74.319999999999993 110.894 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 92.6 m -71.16 -27.28 63.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 71.439999999999998 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.52 -72.82 0.2 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.809 -0.71 . . . . 71.209999999999994 112.519 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -146.99 171.99 27.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 73.319999999999993 112.496 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -53.34 118.47 3.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.34 . . . . 72.329999999999998 110.87 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.5 -20.44 42.11 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.749 -0.738 . . . . 75.049999999999997 112.463 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 -88.81 119.54 29.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.895 0.379 . . . . 73.239999999999995 110.817 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.76 -176.51 19.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 24.32 112.524 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -157.37 155.33 30.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.838 0.351 . . . . 61.25 110.917 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 46.8 t -106.22 108.87 20.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 65.109999999999999 110.885 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.403 ' HB2' HD12 ' A' ' 34' ' ' LEU . 58.2 m-85 -126.33 105.24 8.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 74.010000000000005 110.893 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.04 -159.65 49.38 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.647 -0.787 . . . . 75.549999999999997 112.493 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -12.09 32.19 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.701 2.267 . . . . 73.329999999999998 112.363 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -117.37 138.9 51.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 72.219999999999999 110.912 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 t -82.38 117.47 22.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 45.109999999999999 110.918 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.403 HD12 ' HB2' ' A' ' 29' ' ' TYR . 18.7 mt -105.41 115.6 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 70.219999999999999 110.878 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 35.8 m -73.09 104.86 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 55.399999999999999 110.932 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 65.299999999999997 110.849 -179.931 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.822 0.344 . . . . 61.140000000000001 110.871 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.9 t -80.43 -35.59 34.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 65.219999999999999 110.872 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.6 ptm -163.23 154.69 14.75 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 74.120000000000005 110.88 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 128.13 15.6 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.753 2.302 . . . . 51.450000000000003 112.322 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.07 168.74 8.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 74.200000000000003 110.857 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -145.57 120.57 10.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 63.399999999999999 110.809 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.9 p -67.19 -35.85 80.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 73.140000000000001 111.083 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.58 HG23 ' OD2' ' A' ' 9' ' ' ASP . 10.6 t -72.97 -23.05 60.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.323 -0.399 . . . . 64.450000000000003 111.146 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.58 ' OD2' HG23 ' A' ' 8' ' ' THR . 24.7 m-20 -88.13 132.51 34.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 61.420000000000002 110.922 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.1 m80 -94.13 -35.56 12.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 72.530000000000001 110.822 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.29 -15.19 56.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 74.140000000000001 110.884 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.1 tpt -63.16 -42.51 99.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 45.43 110.863 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.73 -35.16 42.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 65.439999999999998 111.033 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -51.85 -51.59 55.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.412 . . . . 73.140000000000001 110.904 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -68.16 -41.65 81.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 62.520000000000003 110.905 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.1 t -50.59 -36.03 32.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 44.119999999999997 110.835 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -76.3 -37.27 57.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.329999999999998 110.901 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.09 -50.9 66.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 73.150000000000006 110.927 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -53.59 -35.49 60.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.319999999999993 110.94 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.0 m -72.26 -27.33 62.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 71.439999999999998 110.877 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 159.87 -72.47 0.22 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 71.209999999999994 112.454 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -143.3 174.65 23.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.727 . . . . 73.319999999999993 112.539 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.38 122.58 12.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.804 0.335 . . . . 72.329999999999998 110.916 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.43 -20.44 50.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 75.049999999999997 112.521 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.0 mtt180 -84.27 119.09 24.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 73.239999999999995 110.919 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.92 -173.66 16.94 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.753 -0.737 . . . . 24.32 112.527 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -157.33 158.59 36.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 61.25 110.881 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 t -107.58 108.79 20.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 65.109999999999999 110.902 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -126.61 115.13 19.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 74.010000000000005 110.88 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.28 -158.9 53.76 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.694 -0.765 . . . . 75.549999999999997 112.45 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -13.75 34.97 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.656 2.237 . . . . 73.329999999999998 112.31 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -112.96 165.55 12.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 72.219999999999999 110.896 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.0 t -103.97 116.32 32.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 45.109999999999999 110.956 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.0 mt -104.53 119.43 38.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 70.219999999999999 110.929 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.6 m -77.32 105.7 8.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 55.399999999999999 110.937 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 65.299999999999997 110.858 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.817 0.341 . . . . 61.140000000000001 110.904 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.1 t -81.59 -35.26 30.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 65.219999999999999 110.934 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.407 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 20.8 ptm -167.3 154.89 8.46 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.611 0.719 . . . . 74.120000000000005 110.835 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.41 ' O ' ' HE1' ' A' ' 12' ' ' MET . 53.6 Cg_endo -69.77 128.11 15.54 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 51.450000000000003 112.34 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.56 170.05 8.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 74.200000000000003 110.932 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -145.35 125.5 13.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 63.399999999999999 110.935 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.5 p -73.64 -35.45 65.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 73.140000000000001 111.137 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.6 t -72.43 -22.95 61.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 64.450000000000003 111.138 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -88.07 134.41 33.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 61.420000000000002 110.807 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -94.08 -35.9 12.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 72.530000000000001 110.87 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -81.36 -15.18 56.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 74.140000000000001 110.929 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.41 ' HE1' ' O ' ' A' ' 4' ' ' PRO . 10.2 tpt -64.76 -36.1 83.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 45.43 110.881 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.15 -35.74 60.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 65.439999999999998 111.082 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -58.77 -59.11 5.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 73.140000000000001 110.835 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.04 -43.06 73.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 62.520000000000003 110.887 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.4 t -51.3 -49.3 61.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.293 -0.412 . . . . 44.119999999999997 110.869 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -68.0 -35.41 78.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.329999999999998 110.956 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.61 -52.46 65.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 73.150000000000006 110.897 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.0 t -53.88 -35.69 61.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 74.319999999999993 110.871 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.5 m -68.58 -27.42 66.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 71.439999999999998 110.954 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.12 -71.97 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.708 -0.758 . . . . 71.209999999999994 112.454 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.51 172.16 30.29 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.706 -0.759 . . . . 73.319999999999993 112.447 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -51.87 118.97 3.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 72.329999999999998 110.873 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.61 -20.35 42.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.794 -0.717 . . . . 75.049999999999997 112.497 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -92.73 120.08 32.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 73.239999999999995 110.847 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.27 -178.26 17.68 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.733 -0.746 . . . . 24.32 112.497 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.39 154.09 28.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 61.25 110.861 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.2 t -104.65 108.92 20.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 65.109999999999999 110.924 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -127.33 111.14 13.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 74.010000000000005 110.926 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.31 -158.17 51.58 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.713 -0.756 . . . . 75.549999999999997 112.448 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -18.99 36.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 73.329999999999998 112.326 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -110.49 160.27 16.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 72.219999999999999 110.908 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.7 t -98.69 118.89 36.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 45.109999999999999 110.881 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.8 mt -106.32 124.98 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 70.219999999999999 110.851 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.7 m -85.58 134.5 34.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 55.399999999999999 110.927 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 ptp85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 65.299999999999997 110.857 -179.906 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.821 0.343 . . . . 61.140000000000001 110.895 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.5 t -80.67 -35.73 33.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 65.219999999999999 110.849 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.3 ptm -161.6 154.72 17.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 74.120000000000005 110.871 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.404 ' O ' ' HE2' ' A' ' 12' ' ' MET . 53.7 Cg_endo -69.75 128.14 15.61 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.701 2.267 . . . . 51.450000000000003 112.338 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.57 169.63 8.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 74.200000000000003 110.871 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -145.43 111.06 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 63.399999999999999 110.872 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.5 p -59.38 -35.53 74.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 73.140000000000001 111.125 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -72.5 -22.94 60.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 64.450000000000003 111.125 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -89.1 132.82 34.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 61.420000000000002 110.864 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -94.15 -35.66 12.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 72.530000000000001 110.85 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -81.31 -15.23 56.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 74.140000000000001 110.907 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.404 ' HE2' ' O ' ' A' ' 4' ' ' PRO . 9.7 tpt -63.58 -41.03 98.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 45.43 110.895 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.7 -35.37 42.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 65.439999999999998 111.134 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.9 ttp85 -52.06 -50.7 61.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 73.140000000000001 110.869 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -69.1 -40.96 78.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 62.520000000000003 110.845 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.8 t -50.38 -40.54 49.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 44.119999999999997 110.881 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -74.92 -36.58 62.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 74.329999999999998 110.825 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -63.05 -50.17 71.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 73.150000000000006 110.906 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 t -53.86 -35.19 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 74.319999999999993 110.898 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.9 m -70.94 -27.32 63.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 71.439999999999998 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.03 -71.84 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 71.209999999999994 112.472 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.74 172.44 30.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 73.319999999999993 112.448 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -52.06 118.83 3.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 72.329999999999998 110.945 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.71 -20.5 41.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 75.049999999999997 112.449 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.6 mtt-85 -93.03 119.77 32.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.39 . . . . 73.239999999999995 110.847 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.77 -179.94 18.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 24.32 112.49 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -157.37 151.88 25.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 61.25 110.855 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.2 t -105.07 108.93 20.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 65.109999999999999 110.856 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.421 ' HB2' HD12 ' A' ' 34' ' ' LEU . 53.2 m-85 -125.92 107.37 10.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 74.010000000000005 110.91 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.79 -157.46 47.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 75.549999999999997 112.483 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -20.13 35.09 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 73.329999999999998 112.368 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -110.73 148.66 31.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 72.219999999999999 110.96 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.3 t -89.16 118.93 29.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 45.109999999999999 110.858 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.421 HD12 ' HB2' ' A' ' 29' ' ' TYR . 18.5 mt -106.35 118.98 38.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.467 . . . . 70.219999999999999 110.9 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.3 m -77.73 122.11 24.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 55.399999999999999 110.842 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 65.299999999999997 110.902 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 ptm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.846 0.355 . . . . 61.140000000000001 110.85 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.2 t -52.04 -35.94 48.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 65.219999999999999 110.856 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.6 ptm -161.81 154.83 17.35 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.578 0.704 . . . . 74.120000000000005 110.831 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 128.2 15.67 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 51.450000000000003 112.305 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.01 169.92 8.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 74.200000000000003 110.822 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -145.53 142.31 29.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 63.399999999999999 110.862 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.9 p -85.9 -36.11 20.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 73.140000000000001 111.165 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.413 HG23 ' OD2' ' A' ' 9' ' ' ASP . 8.9 t -75.4 -23.03 57.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 64.450000000000003 111.037 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.413 ' OD2' HG23 ' A' ' 8' ' ' THR . 1.2 m-20 -85.06 131.62 34.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 61.420000000000002 110.902 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -94.01 -36.05 12.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 72.530000000000001 110.901 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -81.36 -15.23 55.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.140000000000001 110.911 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.0 tpt -63.91 -40.53 96.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 45.43 110.911 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.76 -38.82 57.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 65.439999999999998 111.133 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -55.96 24.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 73.140000000000001 110.885 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -59.27 -42.39 91.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 62.520000000000003 110.833 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.0 t -50.76 -44.97 58.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 44.119999999999997 110.858 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -71.61 -36.86 70.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 74.329999999999998 110.865 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.37 -50.65 70.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 73.150000000000006 110.853 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.6 t -53.89 -35.87 62.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.319999999999993 110.939 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.1 m -67.92 -27.43 66.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 71.439999999999998 110.857 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.67 -65.68 0.2 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 71.209999999999994 112.494 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.71 -162.84 10.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 73.319999999999993 112.481 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -76.5 116.99 17.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.352 . . . . 72.329999999999998 110.916 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.57 -20.45 41.91 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.835 -0.698 . . . . 75.049999999999997 112.529 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.9 mtt-85 -88.3 119.89 29.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.839 0.352 . . . . 73.239999999999995 110.867 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.01 -178.48 17.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.792 -0.718 . . . . 24.32 112.455 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.34 153.49 27.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.866 0.365 . . . . 61.25 110.883 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.5 t -105.28 108.89 20.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 65.109999999999999 110.859 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -127.76 108.29 10.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 74.010000000000005 110.912 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.23 -158.36 49.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.657 -0.782 . . . . 75.549999999999997 112.531 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.59 -19.86 36.38 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.715 2.276 . . . . 73.329999999999998 112.408 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -110.31 151.08 27.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 72.219999999999999 110.988 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.7 t -90.95 118.13 30.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 45.109999999999999 110.855 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.5 mt -103.98 121.78 43.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 70.219999999999999 110.95 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.2 m -85.58 128.49 34.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 55.399999999999999 110.872 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 65.299999999999997 110.876 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.816 0.341 . . . . 61.140000000000001 110.892 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.5 t -65.65 -35.42 80.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 65.219999999999999 110.876 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.4 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.3 ptm -162.67 154.82 15.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.587 0.708 . . . . 74.120000000000005 110.86 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 53.4 Cg_endo -69.78 128.25 15.74 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.649 2.233 . . . . 51.450000000000003 112.32 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.89 169.63 8.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.200000000000003 110.908 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -145.51 128.25 16.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 63.399999999999999 110.87 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.2 p -73.86 -35.59 64.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 73.140000000000001 111.155 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -73.57 -22.93 59.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 64.450000000000003 111.089 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -88.0 132.33 34.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 61.420000000000002 110.856 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -94.15 -35.28 12.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 72.530000000000001 110.855 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -81.26 -15.24 56.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 74.140000000000001 110.863 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.7 tpt -64.07 -40.24 95.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 45.43 110.956 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.18 -35.46 49.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 65.439999999999998 111.134 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.81 -56.58 17.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.140000000000001 110.931 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -60.77 -41.77 96.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 62.520000000000003 110.898 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.0 t -50.49 -41.66 53.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 44.119999999999997 110.9 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -73.83 -36.42 64.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 74.329999999999998 110.866 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.71 -50.6 70.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 73.150000000000006 110.837 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 t -53.9 -35.26 61.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 74.319999999999993 110.889 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.2 m -70.28 -27.41 64.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 71.439999999999998 110.899 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.1 -71.87 0.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 71.209999999999994 112.466 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.74 172.18 30.46 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 73.319999999999993 112.498 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -51.79 118.9 3.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.332 . . . . 72.329999999999998 110.865 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.59 -20.51 41.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 75.049999999999997 112.524 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -92.83 119.58 32.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 73.239999999999995 110.887 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.9 179.92 18.09 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.752 -0.737 . . . . 24.32 112.457 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -157.34 152.16 25.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.368 . . . . 61.25 110.879 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.3 t -104.35 108.75 20.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 65.109999999999999 110.854 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.427 ' HB2' HD12 ' A' ' 34' ' ' LEU . 53.4 m-85 -125.8 107.13 10.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 74.010000000000005 111.016 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.43 -157.47 47.93 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.792 -0.718 . . . . 75.549999999999997 112.542 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 -19.91 35.48 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.729 2.286 . . . . 73.329999999999998 112.343 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -110.59 150.03 29.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 72.219999999999999 110.903 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.9 t -90.45 119.56 30.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 45.109999999999999 110.83 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.427 HD12 ' HB2' ' A' ' 29' ' ' TYR . 18.4 mt -107.64 120.44 42.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 70.219999999999999 110.887 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 28.7 m -80.42 152.02 29.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 55.399999999999999 110.86 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 65.299999999999997 110.894 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 ptm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.854 0.359 . . . . 61.140000000000001 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.2 t -52.58 -35.85 54.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 65.219999999999999 110.847 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.4 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.6 ptm -162.32 154.66 16.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.644 0.735 . . . . 74.120000000000005 110.82 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 53.3 Cg_endo -69.76 128.17 15.65 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.723 2.282 . . . . 51.450000000000003 112.322 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.39 170.49 8.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 74.200000000000003 110.855 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -145.56 123.07 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 63.399999999999999 110.851 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.0 p -71.06 -35.72 72.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 73.140000000000001 111.124 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.51 HG23 ' OD2' ' A' ' 9' ' ' ASP . 9.9 t -74.1 -22.91 59.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.214 -0.448 . . . . 64.450000000000003 111.157 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.51 ' OD2' HG23 ' A' ' 8' ' ' THR . 32.9 m-20 -89.24 132.82 34.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 61.420000000000002 110.873 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -94.17 -35.49 12.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 72.530000000000001 110.821 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -81.3 -15.2 56.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 74.140000000000001 110.902 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.3 tpt -63.37 -41.66 98.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 45.43 110.835 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.78 -35.23 61.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 65.439999999999998 111.077 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -46.1 64.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 73.140000000000001 110.938 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -74.51 -39.63 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 62.520000000000003 110.948 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 t -50.55 -44.16 56.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 44.119999999999997 110.843 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -72.6 -36.34 68.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.329999999999998 110.83 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -62.6 -50.92 69.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 73.150000000000006 110.897 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.7 t -54.03 -35.12 61.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 74.319999999999993 110.887 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 92.8 m -69.77 -27.4 64.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 71.439999999999998 110.885 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.94 -71.53 0.19 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 71.209999999999994 112.464 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.75 172.12 30.48 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 73.319999999999993 112.53 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -52.05 118.86 3.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.34 . . . . 72.329999999999998 110.909 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.57 -20.44 41.94 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.709 -0.758 . . . . 75.049999999999997 112.449 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -92.25 119.08 31.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 73.239999999999995 110.858 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.11 169.44 17.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 24.32 112.456 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -144.24 157.81 44.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 61.25 110.908 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.4 t -110.25 108.81 19.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 65.109999999999999 110.868 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -130.28 106.8 8.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 74.010000000000005 110.98 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.05 -160.86 41.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 75.549999999999997 112.486 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -19.06 36.5 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.735 2.29 . . . . 73.329999999999998 112.343 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -111.95 149.56 31.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 72.219999999999999 110.892 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.1 t -88.19 123.7 33.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 45.109999999999999 110.856 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.8 mt -109.24 120.4 42.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 70.219999999999999 110.931 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.7 m -82.56 152.03 26.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 55.399999999999999 110.872 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 65.299999999999997 110.9 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.834 0.349 . . . . 61.140000000000001 110.833 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.5 t -74.67 -35.49 62.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 65.219999999999999 110.922 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.1 ptm -161.66 154.37 17.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.525 0.679 . . . . 74.120000000000005 110.927 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 128.18 15.75 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.709 2.273 . . . . 51.450000000000003 112.33 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.75 169.63 8.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.200000000000003 110.891 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -145.43 132.92 20.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 63.399999999999999 110.846 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 59.3 p -77.02 -35.77 56.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 73.140000000000001 111.129 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.0 t -72.68 -22.98 60.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 64.450000000000003 111.152 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.14 131.61 35.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 61.420000000000002 110.822 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -94.24 -34.95 12.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 72.530000000000001 110.841 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -81.24 -15.14 56.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 74.140000000000001 110.97 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.6 tpt -61.49 -41.82 97.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 45.43 110.901 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.21 -35.86 50.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 65.439999999999998 111.097 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.21 -50.05 62.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 73.140000000000001 110.912 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -68.93 -41.43 78.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 62.520000000000003 110.955 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.2 t -50.4 -36.09 31.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 44.119999999999997 110.885 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -78.2 -36.04 47.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 74.329999999999998 110.957 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -63.98 -49.95 70.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 73.150000000000006 110.911 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 t -53.82 -34.93 60.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 74.319999999999993 110.876 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 96.9 m -71.63 -27.46 63.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 71.439999999999998 110.876 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.6 -71.41 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 71.209999999999994 112.477 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.72 171.82 30.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.809 -0.71 . . . . 73.319999999999993 112.514 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 118.86 3.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.807 0.337 . . . . 72.329999999999998 110.909 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.5 -20.42 42.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.682 -0.77 . . . . 75.049999999999997 112.478 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -92.08 119.32 31.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 73.239999999999995 110.858 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.28 -179.75 19.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.796 -0.716 . . . . 24.32 112.555 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.31 152.43 25.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 61.25 110.882 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 46.0 t -104.5 108.65 20.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 65.109999999999999 110.843 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.428 ' HB2' HD12 ' A' ' 34' ' ' LEU . 44.6 m-85 -122.23 104.91 9.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 74.010000000000005 110.957 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.96 -156.81 46.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 75.549999999999997 112.54 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -19.58 35.83 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 73.329999999999998 112.353 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -111.37 143.86 41.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 72.219999999999999 110.989 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.5 t -85.5 124.03 31.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 45.109999999999999 110.907 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.428 HD12 ' HB2' ' A' ' 29' ' ' TYR . 9.6 mt -116.8 116.73 28.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 70.219999999999999 110.928 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.9 m -70.94 120.28 16.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 55.399999999999999 110.866 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 65.299999999999997 110.921 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.737 0.303 . . . . 61.140000000000001 110.885 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.9 t -72.93 -37.06 67.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 65.219999999999999 110.974 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.0 ptm -160.61 154.83 19.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.517 0.675 . . . . 74.120000000000005 110.939 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 128.18 15.59 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.685 2.257 . . . . 51.450000000000003 112.349 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.71 168.36 9.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 74.200000000000003 110.906 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -145.43 120.77 10.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 63.399999999999999 110.951 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.3 p -67.32 -36.16 80.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 73.140000000000001 111.175 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.545 HG23 ' OD2' ' A' ' 9' ' ' ASP . 10.1 t -72.99 -22.97 60.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 64.450000000000003 111.189 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.545 ' OD2' HG23 ' A' ' 8' ' ' THR . 26.4 m-20 -88.08 132.19 34.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 61.420000000000002 110.849 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -93.97 -35.93 12.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 72.530000000000001 110.946 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -81.39 -15.17 56.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 74.140000000000001 110.952 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.4 tpt -64.46 -42.61 95.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 45.43 110.856 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.68 -35.43 42.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 65.439999999999998 111.02 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -51.9 -53.46 40.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 73.140000000000001 110.86 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt -65.36 -41.95 93.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 62.520000000000003 110.881 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.8 t -50.23 -35.82 28.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 44.119999999999997 110.899 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.37 -37.76 51.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 74.329999999999998 110.845 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -64.55 -49.16 72.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 73.150000000000006 110.838 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 t -53.56 -35.64 61.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 74.319999999999993 110.843 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 97.9 m -72.71 -27.48 62.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 71.439999999999998 110.884 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.63 -71.86 0.19 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.727 -0.749 . . . . 71.209999999999994 112.503 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.75 172.27 30.46 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.743 -0.741 . . . . 73.319999999999993 112.513 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -51.82 118.86 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 72.329999999999998 110.971 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.59 -20.43 41.94 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.736 -0.745 . . . . 75.049999999999997 112.514 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -92.5 119.02 31.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 73.239999999999995 110.862 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.11 169.72 17.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 24.32 112.465 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -144.25 158.24 43.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.772 0.32 . . . . 61.25 110.881 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 38.5 t -110.2 108.8 19.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 65.109999999999999 110.923 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.4 ' HB2' HD12 ' A' ' 34' ' ' LEU . 47.2 m-85 -130.14 109.09 10.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 74.010000000000005 110.917 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.37 -161.28 42.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 75.549999999999997 112.498 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -18.41 37.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 73.329999999999998 112.37 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -114.23 149.23 36.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 72.219999999999999 110.927 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.8 t -85.72 126.99 34.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 45.109999999999999 110.908 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' A' ' 29' ' ' TYR . 13.6 mt -114.06 119.98 39.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 70.219999999999999 110.922 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.0 m -79.01 151.99 31.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 55.399999999999999 110.857 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 65.299999999999997 110.91 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ptt? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.806 0.336 . . . . 61.140000000000001 110.87 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.3 t -82.96 -36.62 24.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 65.219999999999999 110.914 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.4 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.4 ptm -160.9 154.75 18.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 74.120000000000005 110.871 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 53.9 Cg_endo -69.72 128.23 15.76 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.693 2.262 . . . . 51.450000000000003 112.36 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.88 168.9 8.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 74.200000000000003 110.89 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -145.51 118.92 9.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 63.399999999999999 110.848 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.7 p -65.91 -35.76 81.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 73.140000000000001 111.137 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.545 HG23 ' OD2' ' A' ' 9' ' ' ASP . 15.2 t -73.11 -23.0 60.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 64.450000000000003 111.149 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.545 ' OD2' HG23 ' A' ' 8' ' ' THR . 34.1 m-20 -88.53 132.54 34.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.284 -0.416 . . . . 61.420000000000002 110.853 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -94.12 -35.9 12.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 72.530000000000001 110.871 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -81.35 -15.28 55.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 74.140000000000001 110.91 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.5 tpt -64.15 -42.91 96.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 45.43 110.845 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.67 -35.23 41.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 65.439999999999998 111.101 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -51.9 -51.34 57.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.140000000000001 110.88 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -67.66 -41.53 83.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 62.520000000000003 110.986 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 t -50.35 -35.84 29.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 44.119999999999997 110.892 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -77.3 -37.86 51.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 74.329999999999998 110.859 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -63.91 -49.34 73.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 73.150000000000006 110.903 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.4 t -53.55 -35.58 60.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 74.319999999999993 110.95 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.0 m -72.34 -27.36 62.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 71.439999999999998 110.907 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.88 -72.09 0.18 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.778 -0.725 . . . . 71.209999999999994 112.467 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.73 172.39 30.44 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 73.319999999999993 112.483 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -51.81 118.96 3.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.845 0.355 . . . . 72.329999999999998 110.839 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.62 -20.51 41.63 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.736 -0.745 . . . . 75.049999999999997 112.499 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -92.74 119.05 31.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 73.239999999999995 110.862 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.33 169.72 17.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 24.32 112.531 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -144.78 156.43 44.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 61.25 110.87 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.2 t -108.93 108.89 19.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 65.109999999999999 110.938 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.443 ' HB2' HD12 ' A' ' 34' ' ' LEU . 53.4 m-85 -129.5 109.89 11.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 74.010000000000005 110.941 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.4 -160.82 46.15 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 75.549999999999997 112.445 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -18.85 37.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.713 2.276 . . . . 73.329999999999998 112.378 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -113.59 148.4 36.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 72.219999999999999 110.896 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.7 t -85.9 127.25 34.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 45.109999999999999 110.873 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.443 HD12 ' HB2' ' A' ' 29' ' ' TYR . 17.8 mt -114.19 119.61 37.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 70.219999999999999 110.928 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.0 m -78.33 152.02 32.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 55.399999999999999 110.897 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 65.299999999999997 110.894 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ppp? . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.812 0.339 . . . . 61.140000000000001 110.838 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.7 t -83.89 -35.33 24.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 65.219999999999999 110.844 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.1 ptm -163.38 154.77 14.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.733 . . . . 74.120000000000005 110.877 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 128.05 15.46 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.682 2.255 . . . . 51.450000000000003 112.375 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.22 169.7 8.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 74.200000000000003 110.9 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -145.44 113.47 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 63.399999999999999 110.817 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.3 p -61.05 -35.72 77.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 73.140000000000001 111.145 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.577 HG23 ' OD2' ' A' ' 9' ' ' ASP . 11.7 t -72.37 -23.09 61.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 64.450000000000003 111.105 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.577 ' OD2' HG23 ' A' ' 8' ' ' THR . 28.0 m-20 -88.83 132.83 34.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 61.420000000000002 110.92 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -94.15 -35.77 12.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 72.530000000000001 110.851 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -81.33 -15.25 55.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 74.140000000000001 110.972 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.5 tpt -63.35 -41.73 98.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 45.43 110.885 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.66 -35.25 41.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 65.439999999999998 111.111 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -49.07 63.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 73.140000000000001 110.948 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -70.15 -41.83 73.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 62.520000000000003 110.902 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.2 t -50.55 -37.39 39.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 44.119999999999997 110.811 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -76.13 -36.82 58.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 74.329999999999998 110.83 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.61 -49.74 72.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 73.150000000000006 110.928 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -53.66 -35.5 61.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 74.319999999999993 110.896 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.1 m -71.61 -27.53 63.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.439999999999998 110.946 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.02 -72.12 0.18 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 71.209999999999994 112.478 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.68 172.38 30.4 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.687 -0.768 . . . . 73.319999999999993 112.425 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 118.92 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 72.329999999999998 110.948 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.67 -20.47 41.62 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 75.049999999999997 112.441 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -93.09 119.66 32.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 73.239999999999995 110.89 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.08 -179.89 17.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 24.32 112.482 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.34 151.51 24.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 61.25 110.908 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.0 t -104.46 108.66 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 65.109999999999999 110.889 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -124.33 107.86 11.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 74.010000000000005 110.921 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.51 -156.72 48.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 75.549999999999997 112.481 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -20.15 35.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.613 2.209 . . . . 73.329999999999998 112.36 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -109.74 153.4 24.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 72.219999999999999 110.938 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.9 t -94.06 119.18 32.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 45.109999999999999 110.836 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.7 mt -108.52 120.21 41.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 70.219999999999999 110.912 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 31.9 m -78.51 152.02 32.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 55.399999999999999 110.961 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 65.299999999999997 110.867 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ptm . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.86 0.362 . . . . 61.140000000000001 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.6 t -79.1 -35.61 42.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 65.219999999999999 110.862 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.4 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.0 ptm -161.73 154.74 17.4 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.56 0.695 . . . . 74.120000000000005 110.853 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 53.9 Cg_endo -69.74 128.28 15.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.744 2.296 . . . . 51.450000000000003 112.319 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.48 171.52 7.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.200000000000003 110.83 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -145.51 127.22 15.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 63.399999999999999 110.83 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.9 p -73.77 -35.51 64.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 73.140000000000001 111.159 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.7 t -74.87 -22.98 58.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 64.450000000000003 111.145 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -90.57 131.25 36.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 61.420000000000002 110.864 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -94.31 -32.38 13.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 72.530000000000001 110.829 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -80.92 -15.11 57.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 74.140000000000001 110.856 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.0 tpt -64.96 -42.29 94.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 45.43 110.87 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.73 -35.35 42.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 65.439999999999998 111.113 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -51.86 -50.9 60.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -69.92 -39.25 76.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 62.520000000000003 110.881 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.0 t -50.57 -43.23 56.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 44.119999999999997 110.923 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -72.54 -36.95 68.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 74.329999999999998 110.872 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.55 -50.65 70.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.150000000000006 110.867 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.7 t -53.88 -35.43 61.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 74.319999999999993 110.893 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.7 m -70.08 -27.51 64.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 71.439999999999998 110.881 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.82 -71.78 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 71.209999999999994 112.503 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.7 172.12 30.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.732 -0.747 . . . . 73.319999999999993 112.44 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -51.83 118.85 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 72.329999999999998 110.976 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.62 -20.48 41.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 75.049999999999997 112.536 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -92.79 119.77 32.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.357 . . . . 73.239999999999995 110.889 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.21 -179.93 18.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.785 -0.721 . . . . 24.32 112.521 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.4 152.74 26.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.816 0.341 . . . . 61.25 110.961 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.8 t -104.29 108.89 20.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 65.109999999999999 110.929 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -127.11 108.34 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 74.010000000000005 110.919 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.22 -157.77 48.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.707 -0.759 . . . . 75.549999999999997 112.579 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -19.62 35.87 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.761 2.307 . . . . 73.329999999999998 112.36 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -110.97 152.52 26.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 72.219999999999999 110.893 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.9 t -92.02 118.54 30.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 45.109999999999999 110.862 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.0 mt -105.27 121.07 43.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 70.219999999999999 110.871 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.4 m -82.49 151.98 26.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 55.399999999999999 110.964 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 65.299999999999997 110.927 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ptm . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.856 0.36 . . . . 61.140000000000001 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 14.8 t -64.18 -36.42 84.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 65.219999999999999 110.859 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.8 ptm -161.76 154.52 17.09 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.711 . . . . 74.120000000000005 110.869 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 128.31 15.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.649 2.233 . . . . 51.450000000000003 112.365 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.7 169.93 8.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 74.200000000000003 110.834 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -145.61 115.12 7.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 63.399999999999999 110.887 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.8 p -63.0 -35.53 80.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 73.140000000000001 111.15 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.579 HG23 ' OD2' ' A' ' 9' ' ' ASP . 11.3 t -73.33 -23.05 60.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 64.450000000000003 111.091 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.579 ' OD2' HG23 ' A' ' 8' ' ' THR . 26.8 m-20 -88.68 132.8 34.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 61.420000000000002 110.909 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -94.21 -35.81 12.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 72.530000000000001 110.85 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -81.38 -15.24 55.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 74.140000000000001 110.89 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.2 tpt -64.51 -42.46 95.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 45.43 110.867 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.51 -35.38 40.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 65.439999999999998 111.134 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -52.05 -50.57 61.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 73.140000000000001 110.864 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -69.65 -39.43 77.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 62.520000000000003 110.878 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 t -50.45 -44.01 55.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 44.119999999999997 110.858 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -72.99 -36.51 67.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 74.329999999999998 110.811 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.37 -51.0 69.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 73.150000000000006 110.857 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 t -53.83 -35.64 61.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 74.319999999999993 110.841 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.2 m -69.6 -27.33 65.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 71.439999999999998 110.853 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.99 -71.85 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.681 -0.771 . . . . 71.209999999999994 112.464 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.71 172.09 30.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.792 -0.718 . . . . 73.319999999999993 112.545 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.8 tttt -51.88 118.88 3.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 72.329999999999998 110.904 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.61 -20.41 41.96 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 75.049999999999997 112.503 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 mtt85 -92.56 119.09 31.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 73.239999999999995 110.946 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.48 172.51 18.23 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 24.32 112.572 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -148.09 155.3 41.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.805 0.336 . . . . 61.25 110.917 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.1 t -107.04 108.77 20.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 65.109999999999999 110.892 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -129.33 110.14 11.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 74.010000000000005 110.959 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.91 -160.19 48.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 75.549999999999997 112.461 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -18.29 36.87 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.676 2.251 . . . . 73.329999999999998 112.346 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -113.48 150.02 33.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 72.219999999999999 110.883 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.9 t -88.29 125.16 34.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 45.109999999999999 110.904 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.3 mt -110.89 121.89 46.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 70.219999999999999 110.922 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.0 m -84.18 126.96 33.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 55.399999999999999 110.972 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 65.299999999999997 110.878 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.894 0.378 . . . . 61.140000000000001 110.907 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.4 t -77.58 -36.02 52.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 65.219999999999999 110.841 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.0 ptm -162.2 154.45 16.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.529 0.681 . . . . 74.120000000000005 110.927 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 128.38 15.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.266 . . . . 51.450000000000003 112.34 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.73 168.78 9.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 74.200000000000003 110.899 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -145.51 117.78 8.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 63.399999999999999 110.903 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.5 t -64.39 -36.12 83.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 73.140000000000001 111.099 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.562 HG23 ' OD2' ' A' ' 9' ' ' ASP . 11.5 t -72.27 -22.22 61.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 64.450000000000003 111.11 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.562 ' OD2' HG23 ' A' ' 8' ' ' THR . 24.8 m-20 -88.65 132.4 34.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 61.420000000000002 110.877 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -94.04 -35.85 12.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 72.530000000000001 110.805 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -81.3 -15.22 56.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.140000000000001 110.877 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.1 tpt -65.7 -38.72 90.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 45.43 110.833 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.15 -35.6 49.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 65.439999999999998 111.058 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -55.76 28.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 73.140000000000001 110.813 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -61.44 -41.43 97.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 62.520000000000003 110.887 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.9 t -50.5 -45.93 56.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 44.119999999999997 110.889 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -71.86 -37.31 70.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 74.329999999999998 110.904 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.33 -51.36 69.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 73.150000000000006 110.883 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 t -53.77 -36.34 62.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 74.319999999999993 110.893 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 95.2 m -67.82 -27.34 66.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 71.439999999999998 110.903 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.69 -68.39 0.2 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 71.209999999999994 112.466 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.78 -169.26 15.34 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.721 -0.752 . . . . 73.319999999999993 112.448 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -69.97 116.71 10.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.793 0.33 . . . . 72.329999999999998 110.94 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.09 -20.5 42.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 75.049999999999997 112.46 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.65 119.98 27.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 73.239999999999995 110.892 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.95 -176.99 17.98 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.687 -0.768 . . . . 24.32 112.446 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.38 154.58 29.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 61.25 110.885 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.8 t -106.75 108.74 20.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 65.109999999999999 110.905 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -128.73 109.78 11.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 74.010000000000005 110.889 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.01 -159.96 47.86 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 75.549999999999997 112.501 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -18.56 36.89 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.675 2.25 . . . . 73.329999999999998 112.399 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -113.54 147.7 37.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 72.219999999999999 110.876 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.4 t -85.33 121.61 28.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 45.109999999999999 110.927 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.2 mt -108.26 117.66 34.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 70.219999999999999 110.97 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.1 m -79.54 119.99 23.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 55.399999999999999 110.914 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 65.299999999999997 110.933 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ptm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.848 0.356 . . . . 61.140000000000001 110.92 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.4 t -51.96 -35.56 46.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 65.219999999999999 110.903 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.4 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 19.0 ptm -161.99 154.62 16.81 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.574 0.702 . . . . 74.120000000000005 110.798 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 53.7 Cg_endo -69.77 128.24 15.73 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.689 2.26 . . . . 51.450000000000003 112.325 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.54 169.6 8.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.200000000000003 110.87 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -145.47 121.39 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 63.399999999999999 110.839 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.2 t -68.56 -35.98 78.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 73.140000000000001 111.131 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.619 HG23 ' OD2' ' A' ' 9' ' ' ASP . 6.3 t -72.29 -22.21 61.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 64.450000000000003 111.183 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.619 ' OD2' HG23 ' A' ' 8' ' ' THR . 1.0 OUTLIER -90.32 132.44 35.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 61.420000000000002 110.816 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -94.28 -35.41 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 72.530000000000001 110.847 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -81.27 -15.19 56.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 74.140000000000001 110.925 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.7 tpt -63.12 -41.7 99.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 45.43 110.894 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.52 -35.57 41.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 65.439999999999998 111.109 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -52.41 -50.19 63.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 73.140000000000001 110.933 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -69.76 -39.93 76.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 62.520000000000003 110.815 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.8 t -50.53 -45.5 56.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 44.119999999999997 110.877 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -71.44 -37.1 71.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.329999999999998 110.874 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -61.44 -51.31 69.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 73.150000000000006 110.898 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.9 t -53.85 -35.61 61.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 74.319999999999993 110.918 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 88.3 m -68.87 -27.37 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 71.439999999999998 110.917 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.96 -71.78 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 71.209999999999994 112.488 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.72 172.18 30.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 73.319999999999993 112.529 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -51.91 118.77 3.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.853 0.359 . . . . 72.329999999999998 110.901 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.73 -20.53 41.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 75.049999999999997 112.408 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -92.73 119.73 32.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 73.239999999999995 110.862 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.51 179.6 18.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 24.32 112.448 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -157.32 152.56 26.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 61.25 110.886 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.1 t -103.99 108.91 20.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 65.109999999999999 110.865 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -127.85 107.88 10.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 74.010000000000005 110.908 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.45 -157.99 48.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 75.549999999999997 112.46 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -19.91 35.54 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.699 2.266 . . . . 73.329999999999998 112.296 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -110.63 151.17 27.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 72.219999999999999 110.929 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.1 t -90.86 118.16 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 45.109999999999999 110.904 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 mt -103.66 120.88 41.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 70.219999999999999 110.961 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.9 m -83.42 151.69 25.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 55.399999999999999 110.869 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 65.299999999999997 110.83 -179.913 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.899 0.38 . . . . 61.140000000000001 110.873 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.1 t -80.45 -35.32 35.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 65.219999999999999 110.871 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.402 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.3 ptm -162.28 154.96 16.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.544 0.688 . . . . 74.120000000000005 110.92 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 53.6 Cg_endo -69.7 128.08 15.57 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.744 2.296 . . . . 51.450000000000003 112.299 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.69 168.65 8.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 74.200000000000003 110.843 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -145.54 112.98 6.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 63.399999999999999 110.866 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.7 p -60.77 -35.52 76.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 73.140000000000001 111.166 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.465 HG23 ' OD2' ' A' ' 9' ' ' ASP . 9.0 t -72.48 -23.05 60.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 64.450000000000003 111.105 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.465 ' OD2' HG23 ' A' ' 8' ' ' THR . 46.8 m-20 -88.49 133.73 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 61.420000000000002 110.866 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -94.19 -35.82 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.530000000000001 110.831 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -81.4 -15.24 55.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 74.140000000000001 110.916 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.2 tpt -64.76 -42.14 95.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 45.43 110.821 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.68 -35.48 42.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.293 -0.412 . . . . 65.439999999999998 111.097 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -53.22 -53.83 44.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 73.140000000000001 110.852 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -65.2 -40.69 94.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 62.520000000000003 110.902 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t -50.48 -42.73 54.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 44.119999999999997 110.914 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -72.34 -36.31 68.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 74.329999999999998 110.845 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -63.16 -50.3 70.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 73.150000000000006 110.86 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.9 t -53.87 -35.04 61.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 74.319999999999993 110.893 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 88.8 m -70.98 -27.47 63.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 71.439999999999998 110.845 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.08 -71.93 0.18 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.751 . . . . 71.209999999999994 112.454 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.62 172.26 30.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 73.319999999999993 112.471 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -51.86 118.84 3.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 72.329999999999998 110.916 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.64 -20.41 41.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 75.049999999999997 112.468 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -92.99 119.59 32.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.346 . . . . 73.239999999999995 110.889 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.31 -179.65 17.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.766 . . . . 24.32 112.393 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -157.28 152.55 26.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 61.25 110.912 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.2 t -104.56 108.85 20.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 65.109999999999999 110.857 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.402 ' HB2' HD12 ' A' ' 34' ' ' LEU . 59.0 m-85 -126.81 109.9 12.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 74.010000000000005 110.949 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.64 -157.52 50.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.814 -0.708 . . . . 75.549999999999997 112.409 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -19.42 36.37 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.271 . . . . 73.329999999999998 112.369 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -109.88 157.26 19.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 72.219999999999999 110.956 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.5 t -96.85 116.34 29.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 45.109999999999999 110.881 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.402 HD12 ' HB2' ' A' ' 29' ' ' TYR . 21.7 mt -103.18 121.66 43.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 70.219999999999999 110.874 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 34.3 m -82.36 152.1 26.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 55.399999999999999 110.851 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 65.299999999999997 110.875 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ptt? . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.775 0.322 . . . . 61.140000000000001 110.939 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 21.8 t -77.44 -35.66 53.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 65.219999999999999 110.926 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.2 ptm -161.01 154.93 18.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.573 0.701 . . . . 74.120000000000005 110.891 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 128.12 15.55 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.671 2.248 . . . . 51.450000000000003 112.374 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.49 171.23 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 74.200000000000003 110.819 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -145.44 127.01 15.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 63.399999999999999 110.859 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.1 p -73.24 -35.6 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 73.140000000000001 111.138 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -75.21 -23.06 57.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 64.450000000000003 111.2 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -89.9 130.65 36.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.463 . . . . 61.420000000000002 110.879 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -94.24 -32.36 13.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 72.530000000000001 110.866 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -80.76 -15.17 57.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 74.140000000000001 110.975 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.3 tpt -64.66 -42.46 95.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 45.43 110.943 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.68 -35.49 42.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 65.439999999999998 111.138 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -51.99 -49.65 62.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 73.140000000000001 110.855 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -70.86 -39.75 72.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 62.520000000000003 110.929 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.5 t -50.55 -39.44 49.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 44.119999999999997 110.813 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -75.32 -37.15 60.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 74.329999999999998 110.861 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -63.18 -49.86 72.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 73.150000000000006 110.917 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.7 t -53.81 -35.35 61.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 74.319999999999993 110.916 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 88.6 m -71.3 -27.42 63.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 71.439999999999998 110.924 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.06 -72.06 0.18 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.788 -0.72 . . . . 71.209999999999994 112.471 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.68 172.42 30.39 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.749 -0.738 . . . . 73.319999999999993 112.487 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -51.86 118.84 3.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.794 0.33 . . . . 72.329999999999998 110.926 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.6 -20.43 41.88 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 75.049999999999997 112.548 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -93.07 119.75 32.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.933 0.396 . . . . 73.239999999999995 110.851 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.68 179.77 18.23 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.803 -0.713 . . . . 24.32 112.519 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.34 152.47 25.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 61.25 110.893 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.6 t -104.81 108.81 20.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 65.109999999999999 110.885 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.421 ' HB2' HD12 ' A' ' 34' ' ' LEU . 53.9 m-85 -125.43 106.76 10.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 74.010000000000005 110.926 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.88 -157.3 46.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 75.549999999999997 112.511 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -20.22 34.89 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.686 2.257 . . . . 73.329999999999998 112.333 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -110.84 148.56 32.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 72.219999999999999 110.925 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.9 t -88.94 119.91 29.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 45.109999999999999 110.906 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.421 HD12 ' HB2' ' A' ' 29' ' ' TYR . 17.7 mt -107.75 120.68 42.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 70.219999999999999 110.902 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.5 m -79.68 152.04 30.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 55.399999999999999 110.905 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 65.299999999999997 110.858 -179.937 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.844 0.354 . . . . 61.140000000000001 110.914 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.8 t -82.73 -36.12 26.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 65.219999999999999 110.865 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.5 ptm -161.15 154.42 18.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.556 0.693 . . . . 74.120000000000005 110.865 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 128.28 15.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.616 2.211 . . . . 51.450000000000003 112.359 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.98 169.77 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 74.200000000000003 110.944 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -145.58 120.8 10.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 63.399999999999999 110.855 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -66.08 -35.56 80.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 73.140000000000001 111.158 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -72.19 -22.33 61.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 64.450000000000003 111.196 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -90.16 132.01 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 61.420000000000002 110.925 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -94.17 -35.46 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 72.530000000000001 110.864 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -81.3 -15.22 56.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 74.140000000000001 110.869 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.4 tpt -62.92 -39.39 94.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 45.43 110.843 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.38 -35.21 62.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 65.439999999999998 111.137 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -49.48 63.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 73.140000000000001 110.852 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -70.2 -40.89 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 62.520000000000003 110.923 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.4 t -50.84 -35.95 35.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 44.119999999999997 110.872 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -78.04 -38.67 44.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 74.329999999999998 110.845 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -62.58 -50.34 71.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 73.150000000000006 110.841 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 t -53.36 -38.0 62.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 74.319999999999993 110.892 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.1 m -68.94 -27.28 65.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 71.439999999999998 110.928 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.26 -66.5 0.22 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.706 -0.759 . . . . 71.209999999999994 112.508 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.61 -167.18 14.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 73.319999999999993 112.462 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -72.17 116.27 12.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.826 0.346 . . . . 72.329999999999998 110.918 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.57 -20.46 41.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 75.049999999999997 112.522 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -84.62 121.94 28.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 73.239999999999995 110.89 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.16 -175.33 21.98 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.726 -0.75 . . . . 24.32 112.486 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -157.24 157.53 34.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.33 . . . . 61.25 110.954 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.0 t -108.0 108.58 19.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 65.109999999999999 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.418 ' HB2' HD12 ' A' ' 34' ' ' LEU . 24.7 m-85 -128.17 111.0 12.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.929 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.95 -161.09 47.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 75.549999999999997 112.516 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -17.79 37.29 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.599 2.2 . . . . 73.329999999999998 112.325 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -116.24 141.07 48.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 72.219999999999999 110.896 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.2 t -76.78 126.73 31.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 45.109999999999999 110.901 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 29' ' ' TYR . 13.0 mt -115.94 111.6 20.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 70.219999999999999 110.93 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.7 m -66.84 106.7 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 55.399999999999999 110.882 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 65.299999999999997 110.919 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.815 0.341 . . . . 61.140000000000001 110.872 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.1 t -80.33 -36.59 33.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 65.219999999999999 110.907 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.1 ptm -161.06 154.91 18.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.541 0.686 . . . . 74.120000000000005 110.854 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 128.22 15.68 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.676 2.251 . . . . 51.450000000000003 112.367 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.4 169.63 8.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 74.200000000000003 110.874 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -145.5 126.93 14.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 63.399999999999999 110.848 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.8 p -73.29 -35.61 66.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 73.140000000000001 111.083 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -73.34 -23.06 60.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 64.450000000000003 111.091 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -91.41 131.72 36.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.328 -0.396 . . . . 61.420000000000002 110.877 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -94.28 -32.22 13.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 72.530000000000001 110.829 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -80.72 -15.21 57.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 74.140000000000001 110.911 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.9 tpt -65.02 -42.23 94.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 45.43 110.893 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.99 -35.46 46.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 65.439999999999998 111.011 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -51.96 -52.55 49.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 73.140000000000001 110.894 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -67.34 -41.46 85.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 62.520000000000003 110.889 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.7 t -50.41 -35.8 30.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 44.119999999999997 110.902 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -77.46 -37.79 50.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 74.329999999999998 110.867 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -64.12 -49.38 72.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 73.150000000000006 110.915 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.6 t -53.46 -35.88 61.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 74.319999999999993 110.862 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.7 m -72.5 -27.35 62.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 71.439999999999998 110.915 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.6 -72.04 0.19 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 71.209999999999994 112.484 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.69 172.24 30.42 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.782 -0.723 . . . . 73.319999999999993 112.475 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -51.77 118.85 3.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 72.329999999999998 110.891 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.66 -20.41 41.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 75.049999999999997 112.494 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -92.62 119.02 31.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 73.239999999999995 110.896 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.32 171.67 17.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 24.32 112.474 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -146.65 156.59 43.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 61.25 110.955 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.1 t -108.43 108.84 19.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 65.109999999999999 110.927 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.4 ' HB2' HD12 ' A' ' 34' ' ' LEU . 39.3 m-85 -129.55 110.36 11.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 74.010000000000005 110.914 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.55 -161.01 46.05 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 75.549999999999997 112.536 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -18.31 36.8 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 73.329999999999998 112.289 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -114.95 148.13 39.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 72.219999999999999 110.901 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.3 t -84.22 128.21 34.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 45.109999999999999 110.85 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' A' ' 29' ' ' TYR . 12.8 mt -115.94 119.27 35.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 70.219999999999999 110.939 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.4 m -77.75 152.08 33.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 55.399999999999999 110.852 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.7 mtm-85 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.12 -0.491 . . . . 65.299999999999997 110.882 -179.927 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 ptm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.762 0.315 . . . . 61.140000000000001 110.962 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.1 t -71.36 -35.48 71.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 65.219999999999999 110.94 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.4 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 18.2 ptm -162.24 154.84 16.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.594 0.711 . . . . 74.120000000000005 110.853 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 53.3 Cg_endo -69.79 128.14 15.58 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.691 2.261 . . . . 51.450000000000003 112.313 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.44 170.3 8.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 74.200000000000003 110.874 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -145.5 121.42 10.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 63.399999999999999 110.902 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -68.48 -36.39 78.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 73.140000000000001 111.104 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.1 p -72.21 -22.17 61.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 64.450000000000003 111.109 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -90.13 132.58 35.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 61.420000000000002 110.851 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -94.17 -35.46 12.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 72.530000000000001 110.926 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -81.37 -15.16 56.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.140000000000001 110.896 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.7 tpt -62.99 -40.6 98.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 45.43 110.863 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.3 -35.41 50.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 65.439999999999998 111.067 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.7 ttp85 -51.91 -53.29 42.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 73.140000000000001 110.903 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -66.24 -40.7 90.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 62.520000000000003 110.898 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.9 t -50.65 -42.23 56.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 44.119999999999997 110.801 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -73.47 -36.57 65.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 74.329999999999998 110.916 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.56 -50.74 70.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 73.150000000000006 110.82 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.1 t -53.74 -35.49 61.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 74.319999999999993 110.903 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.6 m -70.13 -27.5 64.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 71.439999999999998 110.885 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.0 -71.89 0.18 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 71.209999999999994 112.523 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.68 172.19 30.41 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.784 -0.722 . . . . 73.319999999999993 112.469 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -51.87 118.8 3.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 72.329999999999998 110.927 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.64 -20.38 41.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 75.049999999999997 112.487 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -92.97 119.84 32.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.872 0.368 . . . . 73.239999999999995 110.864 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.63 180.0 18.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 24.32 112.481 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -157.34 152.5 26.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 61.25 110.928 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.6 t -104.7 108.9 20.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 65.109999999999999 110.85 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -126.49 107.57 10.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 74.010000000000005 110.975 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.63 -157.7 47.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 75.549999999999997 112.49 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -19.91 35.77 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.628 2.218 . . . . 73.329999999999998 112.353 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -110.92 150.26 29.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 72.219999999999999 110.877 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.7 t -90.2 119.39 30.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 45.109999999999999 110.85 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.5 mt -106.63 120.45 42.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 70.219999999999999 110.883 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 30.3 m -80.88 151.3 28.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 55.399999999999999 110.896 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 65.299999999999997 110.879 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 tmm? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.808 0.337 . . . . 61.140000000000001 110.908 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.3 t -73.25 -35.81 66.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 65.219999999999999 110.869 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.4 ptm -160.34 154.37 19.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.527 0.679 . . . . 74.120000000000005 110.941 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 128.13 15.59 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.662 2.241 . . . . 51.450000000000003 112.422 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.19 169.39 8.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 74.200000000000003 110.876 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -145.4 143.89 30.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 63.399999999999999 110.892 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.2 p -85.6 -35.65 20.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 73.140000000000001 111.135 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -72.79 -23.02 60.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 64.450000000000003 111.158 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -88.19 131.5 34.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 61.420000000000002 110.933 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -94.06 -35.15 12.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 72.530000000000001 110.929 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -81.36 -15.13 56.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 74.140000000000001 110.876 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.5 tpt -61.83 -40.95 97.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 45.43 110.815 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.62 -35.46 54.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 65.439999999999998 111.087 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -57.12 12.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 73.140000000000001 110.927 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -61.02 -40.83 95.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 62.520000000000003 110.915 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.6 t -50.8 -40.31 55.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 44.119999999999997 110.903 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -74.93 -36.37 62.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.329999999999998 110.82 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -63.57 -51.09 66.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 73.150000000000006 110.831 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -53.73 -35.5 61.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 74.319999999999993 110.894 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 92.6 m -71.16 -27.28 63.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 71.439999999999998 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.52 -72.82 0.2 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.809 -0.71 . . . . 71.209999999999994 112.519 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -146.99 171.99 27.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 73.319999999999993 112.496 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -53.34 118.47 3.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.34 . . . . 72.329999999999998 110.87 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.5 -20.44 42.11 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.749 -0.738 . . . . 75.049999999999997 112.463 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 -88.81 119.54 29.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.895 0.379 . . . . 73.239999999999995 110.817 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.76 -176.51 19.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 24.32 112.524 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -157.37 155.33 30.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.838 0.351 . . . . 61.25 110.917 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 46.8 t -106.22 108.87 20.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 65.109999999999999 110.885 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.403 ' HB2' HD12 ' A' ' 34' ' ' LEU . 58.2 m-85 -126.33 105.24 8.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 74.010000000000005 110.893 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.04 -159.65 49.38 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.647 -0.787 . . . . 75.549999999999997 112.493 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -12.09 32.19 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.701 2.267 . . . . 73.329999999999998 112.363 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -117.37 138.9 51.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 72.219999999999999 110.912 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 t -82.38 117.47 22.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 45.109999999999999 110.918 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.403 HD12 ' HB2' ' A' ' 29' ' ' TYR . 18.7 mt -105.41 115.6 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 70.219999999999999 110.878 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 35.8 m -73.09 104.86 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 55.399999999999999 110.932 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 65.299999999999997 110.849 -179.931 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.822 0.344 . . . . 61.140000000000001 110.871 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.9 t -80.43 -35.59 34.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 65.219999999999999 110.872 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.6 ptm -163.23 154.69 14.75 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 74.120000000000005 110.88 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 128.13 15.6 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.753 2.302 . . . . 51.450000000000003 112.322 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.07 168.74 8.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 74.200000000000003 110.857 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -145.57 120.57 10.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 63.399999999999999 110.809 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.9 p -67.19 -35.85 80.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 73.140000000000001 111.083 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.58 HG23 ' OD2' ' A' ' 9' ' ' ASP . 10.6 t -72.97 -23.05 60.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.323 -0.399 . . . . 64.450000000000003 111.146 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.58 ' OD2' HG23 ' A' ' 8' ' ' THR . 24.7 m-20 -88.13 132.51 34.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 61.420000000000002 110.922 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.1 m80 -94.13 -35.56 12.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 72.530000000000001 110.822 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.29 -15.19 56.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 74.140000000000001 110.884 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.1 tpt -63.16 -42.51 99.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 45.43 110.863 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.73 -35.16 42.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 65.439999999999998 111.033 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -51.85 -51.59 55.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.412 . . . . 73.140000000000001 110.904 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -68.16 -41.65 81.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 62.520000000000003 110.905 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.1 t -50.59 -36.03 32.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 44.119999999999997 110.835 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -76.3 -37.27 57.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.329999999999998 110.901 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.09 -50.9 66.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 73.150000000000006 110.927 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -53.59 -35.49 60.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.319999999999993 110.94 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.0 m -72.26 -27.33 62.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 71.439999999999998 110.877 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 159.87 -72.47 0.22 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 71.209999999999994 112.454 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -143.3 174.65 23.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.727 . . . . 73.319999999999993 112.539 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.38 122.58 12.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.804 0.335 . . . . 72.329999999999998 110.916 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.43 -20.44 50.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 75.049999999999997 112.521 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.0 mtt180 -84.27 119.09 24.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 73.239999999999995 110.919 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.92 -173.66 16.94 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.753 -0.737 . . . . 24.32 112.527 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -157.33 158.59 36.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 61.25 110.881 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 t -107.58 108.79 20.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 65.109999999999999 110.902 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -126.61 115.13 19.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 74.010000000000005 110.88 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.28 -158.9 53.76 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.694 -0.765 . . . . 75.549999999999997 112.45 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -13.75 34.97 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.656 2.237 . . . . 73.329999999999998 112.31 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -112.96 165.55 12.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 72.219999999999999 110.896 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.0 t -103.97 116.32 32.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 45.109999999999999 110.956 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.0 mt -104.53 119.43 38.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 70.219999999999999 110.929 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.6 m -77.32 105.7 8.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 55.399999999999999 110.937 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 65.299999999999997 110.858 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.817 0.341 . . . . 61.140000000000001 110.904 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.1 t -81.59 -35.26 30.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 65.219999999999999 110.934 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.407 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 20.8 ptm -167.3 154.89 8.46 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.611 0.719 . . . . 74.120000000000005 110.835 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.41 ' O ' ' HE1' ' A' ' 12' ' ' MET . 53.6 Cg_endo -69.77 128.11 15.54 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 51.450000000000003 112.34 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.56 170.05 8.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 74.200000000000003 110.932 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -145.35 125.5 13.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 63.399999999999999 110.935 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.5 p -73.64 -35.45 65.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 73.140000000000001 111.137 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.6 t -72.43 -22.95 61.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 64.450000000000003 111.138 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -88.07 134.41 33.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 61.420000000000002 110.807 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -94.08 -35.9 12.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 72.530000000000001 110.87 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -81.36 -15.18 56.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 74.140000000000001 110.929 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.41 ' HE1' ' O ' ' A' ' 4' ' ' PRO . 10.2 tpt -64.76 -36.1 83.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 45.43 110.881 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.15 -35.74 60.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 65.439999999999998 111.082 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -58.77 -59.11 5.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 73.140000000000001 110.835 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.04 -43.06 73.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 62.520000000000003 110.887 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.4 t -51.3 -49.3 61.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.293 -0.412 . . . . 44.119999999999997 110.869 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -68.0 -35.41 78.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.329999999999998 110.956 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.61 -52.46 65.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 73.150000000000006 110.897 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.0 t -53.88 -35.69 61.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 74.319999999999993 110.871 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.5 m -68.58 -27.42 66.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 71.439999999999998 110.954 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.12 -71.97 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.708 -0.758 . . . . 71.209999999999994 112.454 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.51 172.16 30.29 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.706 -0.759 . . . . 73.319999999999993 112.447 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -51.87 118.97 3.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 72.329999999999998 110.873 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.61 -20.35 42.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.794 -0.717 . . . . 75.049999999999997 112.497 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -92.73 120.08 32.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 73.239999999999995 110.847 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.27 -178.26 17.68 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.733 -0.746 . . . . 24.32 112.497 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.39 154.09 28.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 61.25 110.861 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.2 t -104.65 108.92 20.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 65.109999999999999 110.924 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -127.33 111.14 13.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 74.010000000000005 110.926 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.31 -158.17 51.58 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.713 -0.756 . . . . 75.549999999999997 112.448 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -18.99 36.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 73.329999999999998 112.326 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -110.49 160.27 16.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 72.219999999999999 110.908 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.7 t -98.69 118.89 36.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 45.109999999999999 110.881 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.8 mt -106.32 124.98 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 70.219999999999999 110.851 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.7 m -85.58 134.5 34.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 55.399999999999999 110.927 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 ptp85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 65.299999999999997 110.857 -179.906 . . . . . . . . 0 0 . 1 stop_ save_