data_2dcw_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 2dcw _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.738 0.304 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -96.98 167.21 11.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.721 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.447 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -53.8 128.33 29.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.078 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.03 27.75 7.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.413 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.23 161.88 31.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 111.045 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.11 148.67 21.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 p -160.05 131.07 5.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.773 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.03 166.17 11.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.948 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.428 HG22 ' CG ' ' A' ' 14' ' ' TYR . 11.6 m -55.55 -50.94 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.573 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.428 ' CG ' HG22 ' A' ' 13' ' ' VAL . 7.4 m-85 -90.76 26.36 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.757 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.6 p -65.67 177.78 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.25 -122.95 0.13 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -55.97 148.33 17.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.857 0.36 . . . . 0.0 110.961 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.5 m -69.92 177.92 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.94 172.1 8.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.2 m -67.07 178.62 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -65.01 131.62 47.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.84 13.77 82.78 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.786 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 42.2 m-85 -140.08 130.9 25.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.735 0.303 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.455 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -115.16 -178.78 3.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.922 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.7 t -118.63 115.51 24.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.65 160.52 14.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -82.62 176.7 9.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.037 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.42 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 72.2 m-20 -90.03 -50.27 6.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.952 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.42 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 5.2 p90 -159.47 160.39 28.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.59 98.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.686 2.258 . . . . 0.0 112.132 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.31 25.48 3.78 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.99 165.28 11.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.706 0.288 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.5 tt -113.78 -31.03 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.201 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -110.42 155.99 21.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.884 0.373 . . . . 0.0 111.02 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.09 -145.35 4.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.47 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -150.06 159.64 44.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.739 0.305 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.4 t -84.92 133.67 34.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.6 m -130.01 157.51 42.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.469 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 2.3 ptm180 -72.4 142.52 48.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.455 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 22.7 mtp180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 25.0 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.417 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 2.4 t80 -106.08 173.97 6.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.434 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -52.74 134.74 36.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.15 28.18 56.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.04 152.69 23.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 111.03 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -90.03 119.28 30.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -138.98 137.04 36.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.22 166.66 10.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.441 HG23 ' CD1' ' A' ' 14' ' ' TYR . 16.1 m -56.47 -47.23 82.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.439 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.441 ' CD1' HG23 ' A' ' 13' ' ' VAL . 9.7 m-85 -90.7 21.26 4.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.788 -179.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.6 p -60.97 176.82 0.37 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.825 0.345 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.96 -125.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.261 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.15 163.85 16.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.815 0.34 . . . . 0.0 110.668 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.6 m -69.96 176.33 3.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.94 179.12 2.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 91.9 m -64.28 171.26 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -60.78 120.49 10.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.81 17.21 56.95 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.649 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.448 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 46.7 m-85 -140.1 134.88 31.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.703 0.287 . . . . 0.0 110.782 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.427 ' CD1' ' HG2' ' A' ' 26' ' ' ARG . 2.3 p90 -112.37 -177.08 3.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.079 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.1 t -128.76 106.86 9.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.738 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.427 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 6.3 mmm180 -105.66 138.55 41.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.957 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -72.34 176.94 4.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -69.87 -64.59 0.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -149.79 162.53 27.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.773 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -47.22 97.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.512 2.141 . . . . 0.0 112.393 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.31 27.14 2.97 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.475 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -108.08 166.34 10.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 110.829 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.0 tt -114.18 -30.44 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.278 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -118.43 151.5 37.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 111.025 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.03 -152.73 5.86 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.452 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.2 m -134.09 163.87 28.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 0.0 110.981 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.1 t -98.29 126.28 43.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.6 m -130.05 154.36 47.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.448 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -64.06 155.43 31.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.423 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.773 0.32 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.405 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 17.3 t80 -97.18 166.49 11.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.425 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -56.76 139.71 49.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.978 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.38 26.53 65.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.437 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.28 173.49 6.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 111.079 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.5 mtt85 -103.33 116.86 33.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -136.86 158.96 43.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.448 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -121.03 163.66 17.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.106 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.446 HG23 ' CD1' ' A' ' 14' ' ' TYR . 16.0 m -57.89 -47.74 85.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.481 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.446 ' CD1' HG23 ' A' ' 13' ' ' VAL . 9.7 m-85 -90.6 23.37 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.789 -178.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.5 t -64.54 175.56 1.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.815 0.341 . . . . 0.0 110.871 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.21 -125.8 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.352 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.15 170.49 9.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.842 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.5 m -70.11 177.29 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.92 -175.34 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.725 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.5 m -56.21 178.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.58 109.73 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.97 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.36 -18.45 41.79 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.851 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.43 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 94.5 m-85 -106.7 160.87 15.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.866 0.365 . . . . 0.0 111.031 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.429 ' CE1' ' HA ' ' A' ' 40' ' ' ARG . 2.0 p90 -144.95 174.24 11.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.851 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.3 t -93.67 141.36 28.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.416 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -131.65 145.17 51.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -93.82 152.95 18.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.416 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 8.3 m-20 -61.98 -59.22 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.031 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.416 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 3.9 p90 -149.28 161.14 33.02 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.745 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.19 102.27 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.648 2.232 . . . . 0.0 112.125 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.73 26.89 3.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.487 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.0 t -108.81 164.26 12.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 0.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.439 HG12 ' CD1' ' A' ' 34' ' ' PHE . 12.4 tt -113.14 -30.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.448 ' CD2' ' HB3' ' A' ' 12' ' ' ARG . 21.6 m-85 -127.03 142.95 51.42 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.906 0.384 . . . . 0.0 110.956 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.77 -147.08 4.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.436 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 m -126.53 160.0 31.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 50.9 t -95.01 132.12 40.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.0 m -130.06 167.18 18.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.43 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 6.2 ppt_? -76.62 130.7 38.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.429 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.803 0.335 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -93.82 175.01 6.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.48 142.84 51.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.78 27.59 64.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.373 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.2 167.32 10.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.838 0.352 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -91.18 123.25 34.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -150.19 132.19 15.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.418 ' HD2' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.9 169.88 8.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.003 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.425 HG22 ' CD1' ' A' ' 14' ' ' TYR . 8.6 m -55.99 -52.8 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.549 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.425 ' CD1' HG22 ' A' ' 13' ' ' VAL . 5.1 m-85 -90.88 28.8 1.47 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.627 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.6 p -63.75 162.29 13.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.46 -123.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -55.9 149.07 15.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 m -69.87 179.45 2.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.3 m -69.98 175.98 4.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.8 m -59.26 176.8 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.79 117.49 6.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.965 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.0 20.03 54.37 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.668 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.454 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 9.6 m-85 -132.1 141.7 49.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.699 0.285 . . . . 0.0 110.736 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.491 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 1.4 p90 -122.96 163.06 21.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.86 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.6 t -104.43 113.75 27.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.987 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.47 150.34 23.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.02 176.86 8.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.409 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 35.1 m-20 -83.04 -64.38 1.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 7.1 p90 -148.89 162.61 28.82 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.74 100.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.608 2.205 . . . . 0.0 112.29 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.27 26.34 4.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.51 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 m -110.08 161.55 15.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.6 tt -110.89 -30.8 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.053 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.418 ' CZ ' ' HD2' ' A' ' 12' ' ' ARG . 4.0 m-85 -111.67 152.42 27.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.942 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.97 -150.77 5.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.559 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.85 168.38 17.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.7 t -100.38 132.53 45.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.4 m -130.07 161.17 31.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.454 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -82.73 142.21 31.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.727 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.491 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 9.3 ttt-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.8 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -99.33 174.65 6.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.68 130.73 46.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.002 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.96 26.19 15.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.425 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.6 147.08 49.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 111.079 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -90.0 142.03 28.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.5 p -146.91 142.41 27.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.749 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.433 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.96 174.38 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.0 0.429 . . . . 0.0 111.055 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.471 ' CG2' ' CE2' ' A' ' 14' ' ' TYR . 24.9 m -69.4 -43.32 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.481 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.471 ' CE2' ' CG2' ' A' ' 13' ' ' VAL . 8.7 m-85 -90.33 19.45 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.787 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -179.38 0.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 110.762 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.41 -125.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.41 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -75.26 174.68 9.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.785 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.6 m -70.01 -179.91 2.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.799 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.94 -176.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.3 m -65.78 -177.73 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -60.46 126.09 26.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.04 20.07 77.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.592 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.451 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 87.3 m-85 -136.27 138.45 41.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.722 0.296 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.484 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.2 OUTLIER -126.07 168.08 14.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.909 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.9 t -105.14 117.09 33.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -113.59 145.89 40.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -79.69 -178.44 6.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 24.5 m-20 -89.74 -44.29 10.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 2.1 p90 -160.04 162.07 24.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.789 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.86 96.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.579 2.186 . . . . 0.0 112.093 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.34 25.73 3.4 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.53 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 t -99.71 164.48 12.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.817 0.341 . . . . 0.0 110.829 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.407 HG12 ' CD1' ' A' ' 34' ' ' PHE . 16.8 tt -114.55 -30.15 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.246 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.433 ' HA ' ' HA ' ' A' ' 12' ' ' ARG . 8.5 m-85 -123.84 149.18 46.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.851 0.358 . . . . 0.0 111.088 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -147.88 -145.2 4.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.396 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.41 -177.71 4.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.88 0.371 . . . . 0.0 111.033 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 37.0 t -115.66 128.55 55.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.2 m -130.13 157.37 42.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.451 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 14.0 ptt-85 -73.29 154.52 40.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.484 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 6.8 mtp85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.977 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.811 0.339 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -90.08 175.74 7.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.27 142.94 41.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.75 26.01 70.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.425 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.74 166.21 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -95.95 125.86 40.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.2 p -146.79 170.28 17.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.432 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -133.2 171.27 14.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.856 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.424 HG22 ' CG ' ' A' ' 14' ' ' TYR . 14.2 m -62.4 -51.28 74.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.514 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.424 ' CG ' HG22 ' A' ' 13' ' ' VAL . 7.6 m-85 -90.77 23.6 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.939 -179.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.96 168.04 2.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.885 0.374 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.41 -125.14 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.325 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 160.97 9.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.778 0.323 . . . . 0.0 110.681 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.2 m -69.93 -179.5 1.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.02 -176.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.714 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.6 m -59.87 176.04 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.762 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.1 116.61 6.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.827 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.33 6.14 66.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.772 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.426 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 9.2 m-85 -129.95 150.31 51.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.835 0.35 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.426 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -134.46 176.13 8.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.022 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.5 t -107.98 136.55 47.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.799 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -127.41 140.83 51.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -70.08 161.74 29.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -69.85 -56.13 7.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -150.88 163.7 22.85 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -48.76 94.23 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.569 2.179 . . . . 0.0 112.4 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.93 40.56 1.17 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.363 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.5 t -110.03 165.04 12.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 111.032 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.462 HG13 ' CD1' ' A' ' 34' ' ' PHE . 1.8 tp -113.21 -32.26 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.462 ' CD1' HG13 ' A' ' 33' ' ' ILE . 16.6 m-85 -131.47 130.88 43.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.808 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.28 -151.25 7.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.538 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 58.7 m -124.29 162.14 24.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 110.983 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.7 t -95.11 138.26 33.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.2 m -130.03 167.48 18.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.426 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -81.24 152.27 27.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.426 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.3 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.785 0.326 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.422 ' CE2' ' HG3' ' A' ' 7' ' ' ARG . 31.2 t80 -89.93 160.56 16.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.756 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.447 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -59.0 143.93 46.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.994 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.26 25.31 64.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.77 174.39 5.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -105.18 114.4 28.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.964 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.7 p -128.44 158.16 39.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.71 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.424 ' HB3' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -119.89 161.4 20.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.995 0.426 . . . . 0.0 111.121 -179.822 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.439 HG21 ' CD1' ' A' ' 14' ' ' TYR . 13.7 m -55.94 -48.54 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.651 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.439 ' CD1' HG21 ' A' ' 13' ' ' VAL . 8.8 m-85 -90.57 25.33 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.818 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.2 t -64.14 174.56 1.53 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.769 0.318 . . . . 0.0 110.798 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.79 -125.19 0.11 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.406 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -59.04 163.03 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 m -71.96 177.47 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.01 -176.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.8 m -66.47 -177.9 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -70.92 111.4 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.32 9.38 44.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.801 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.447 ' CE2' ' HB3' ' A' ' 7' ' ' ARG . 70.4 m-85 -140.1 150.9 44.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.809 0.338 . . . . 0.0 110.843 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -134.65 -178.32 5.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.042 179.779 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.5 t -108.39 118.19 36.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.981 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -114.62 140.58 48.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -82.23 157.92 23.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -63.94 -63.89 1.04 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -145.29 160.41 45.61 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.778 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.57 95.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.657 2.238 . . . . 0.0 112.073 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.19 -19.94 3.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.62 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.4 t -70.81 161.64 30.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.761 0.315 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.0 tt -109.53 -30.33 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 12' ' ' ARG . 5.7 m-85 -117.76 152.7 34.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.895 0.379 . . . . 0.0 110.94 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.52 -151.1 5.37 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.545 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.9 m -131.92 147.02 52.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.349 . . . . 0.0 111.01 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.8 t -80.23 126.44 31.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.416 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 21.0 m -130.18 153.35 48.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.445 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 4.0 ppt_? -60.42 168.32 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.975 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -89.97 174.38 7.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.73 155.55 7.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.2 23.96 76.48 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.02 179.56 4.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.768 0.318 . . . . 0.0 111.067 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -114.92 137.43 51.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -150.28 158.25 43.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.72 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.417 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -119.3 162.01 19.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.901 0.381 . . . . 0.0 111.093 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.473 ' CG2' ' CE2' ' A' ' 14' ' ' TYR . 34.4 m -58.11 -43.33 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.445 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.473 ' CE2' ' CG2' ' A' ' 13' ' ' VAL . 8.9 m-85 -90.45 21.93 3.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.786 -178.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.7 t -69.57 171.25 9.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.838 0.352 . . . . 0.0 110.749 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.13 -125.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.351 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.22 172.62 2.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.851 0.357 . . . . 0.0 110.758 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -78.29 -177.01 4.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.86 -178.61 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.701 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.5 m -57.49 -176.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.0 122.03 17.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.81 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.03 4.0 78.89 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.764 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.457 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 4.5 m-85 -131.52 145.51 51.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.675 0.274 . . . . 0.0 110.749 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.474 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -127.7 -178.42 4.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.968 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.1 t -109.89 126.2 53.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -121.62 137.02 54.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -80.85 176.69 9.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -77.02 -66.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.402 ' CE1' ' OG ' ' A' ' 32' ' ' SER . 1.8 p90 -146.33 162.6 34.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -49.3 92.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.567 2.178 . . . . 0.0 112.412 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 133.25 -11.01 5.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.755 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.402 ' OG ' ' CE1' ' A' ' 29' ' ' PHE . 74.6 m -73.03 155.98 39.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.415 HG12 ' CD1' ' A' ' 34' ' ' PHE . 15.8 tt -107.07 -28.49 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.417 ' CD2' ' HB3' ' A' ' 12' ' ' ARG . 10.3 m-85 -127.18 147.52 50.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.911 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.6 -148.69 4.9 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.447 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 m -133.86 153.85 51.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 t -78.4 134.55 37.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 m -130.04 139.79 50.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.457 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -59.46 140.17 56.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.962 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.474 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 1.1 ttt-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 66.1 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.845 0.355 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -107.32 176.62 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.744 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.2 132.48 19.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.966 0.413 . . . . 0.0 111.11 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.85 31.19 29.98 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.454 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.81 164.27 14.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.89 0.376 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -100.03 126.43 46.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.8 p -149.81 138.19 20.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.731 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.91 175.36 5.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.903 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.449 HG21 ' CG ' ' A' ' 14' ' ' TYR . 27.2 m -67.65 -46.87 81.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.394 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.449 ' CG ' HG21 ' A' ' 13' ' ' VAL . 10.3 m-85 -90.87 22.89 3.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.731 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.13 179.3 0.73 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.84 0.352 . . . . 0.0 110.79 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.14 -125.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.266 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -72.82 -176.92 2.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.762 0.315 . . . . 0.0 110.772 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.7 m -79.95 177.94 8.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.01 -175.28 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.6 m -55.98 178.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -60.68 118.47 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.66 20.0 62.61 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.674 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 17.9 m-85 -133.43 141.58 47.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.78 0.324 . . . . 0.0 110.814 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.432 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -123.54 -179.0 4.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.926 179.807 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.7 t -113.08 115.72 28.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.49 131.81 52.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.986 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -83.0 -174.23 5.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.415 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 54.7 m-20 -81.1 -61.97 1.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.415 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 11.7 p90 -156.78 162.3 27.85 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.751 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -46.24 93.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.627 2.218 . . . . 0.0 112.436 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.78 35.28 0.85 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.483 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.39 171.91 7.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.434 HG12 ' CE1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -120.08 -35.16 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.289 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.449 ' CD2' ' HB3' ' A' ' 12' ' ' ARG . 14.9 m-85 -130.63 148.89 52.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.961 0.41 . . . . 0.0 111.183 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.58 -151.42 5.45 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.433 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 m -131.85 154.85 48.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 36.4 t -76.82 136.51 38.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.1 m -130.04 135.98 48.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.444 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -60.0 144.88 48.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.432 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 9.6 ttt-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.03 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.6 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.806 0.336 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.429 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 7.8 t80 -90.26 167.59 12.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.758 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.429 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -49.07 135.09 16.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.192 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.49 27.03 37.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.25 154.36 29.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 111.058 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.54 127.94 37.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -142.82 140.71 31.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.762 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.438 ' HD2' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -104.3 176.0 5.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.817 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.46 HG22 ' CG ' ' A' ' 14' ' ' TYR . 32.1 m -69.35 -45.31 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.291 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.46 ' CG ' HG22 ' A' ' 13' ' ' VAL . 9.2 m-85 -90.65 21.34 4.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.724 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.59 179.27 0.64 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.753 0.311 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.38 -125.44 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.386 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 ttp85 -64.34 167.98 6.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.732 0.301 . . . . 0.0 110.827 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.8 m -76.66 178.18 6.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.07 -176.68 1.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 68.0 m -64.22 166.55 7.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.782 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -60.26 110.04 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.02 -10.68 31.81 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.86 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 25.1 m-85 -120.86 144.97 48.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.735 0.302 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.498 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.6 OUTLIER -124.28 -178.18 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.92 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 30.2 t -113.89 123.13 49.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -114.72 151.6 33.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.6 mtt85 -76.94 161.13 28.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.436 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 32.5 m-20 -77.72 -53.49 7.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.436 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 4.3 p90 -155.8 160.99 30.4 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.812 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.76 102.63 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.694 2.263 . . . . 0.0 112.211 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.4 24.28 5.7 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.561 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.407 ' OG ' ' CE2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -109.96 148.5 31.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.922 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.0 tt -98.39 -30.89 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.438 ' CZ ' ' HD2' ' A' ' 12' ' ' ARG . 3.4 m-85 -109.33 154.26 22.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.947 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.88 -153.78 6.19 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 m -131.79 167.69 19.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.871 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.1 t -97.52 132.06 43.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.5 m -129.96 163.92 25.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.439 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 18.2 ptt180 -79.46 155.4 28.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.498 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 40.8 mtp85 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.5 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.806 0.336 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -99.98 170.61 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.724 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.432 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -58.96 148.58 30.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.25 26.81 71.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.408 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.96 168.37 9.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.874 0.369 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 -95.29 129.42 42.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.809 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.0 p -148.46 137.67 21.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.816 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.459 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -103.44 173.67 6.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.463 ' CG2' ' CE2' ' A' ' 14' ' ' TYR . 34.3 m -69.21 -44.53 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.432 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.463 ' CE2' ' CG2' ' A' ' 13' ' ' VAL . 9.1 m-85 -90.53 21.36 3.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.752 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.49 -179.82 0.69 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.837 0.351 . . . . 0.0 110.869 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.37 -125.47 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.41 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.75 162.44 13.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.728 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.4 m -69.99 -179.98 2.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.93 -176.47 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.0 m -65.59 177.61 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.53 120.44 11.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.26 19.61 62.19 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.647 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.432 ' CE1' ' HB3' ' A' ' 7' ' ' ARG . 72.5 m-85 -140.07 148.21 41.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.75 0.309 . . . . 0.0 110.687 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.425 ' CE1' ' HA ' ' A' ' 40' ' ' ARG . 2.1 p90 -142.81 174.96 10.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.023 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.1 t -98.19 135.72 39.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -119.38 131.83 55.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -69.91 161.44 29.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.409 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 1.8 m-20 -75.52 -57.28 3.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 8.0 p90 -156.29 162.76 26.84 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -49.95 100.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.476 2.117 . . . . 0.0 112.335 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.73 25.22 4.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.465 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -101.04 167.21 10.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.937 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.409 HG22 ' CD1' ' A' ' 34' ' ' PHE . 18.2 tt -112.75 -46.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 12' ' ' ARG . 3.6 m-30 -103.67 159.7 15.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.862 0.363 . . . . 0.0 110.807 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.12 -161.96 10.21 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.562 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.1 m -128.19 150.34 50.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.8 t -79.67 128.01 32.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.06 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.1 m -129.98 157.09 43.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.425 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -70.35 130.8 42.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.425 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 4.7 ttm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.1 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.777 0.322 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.425 ' CE2' ' HG3' ' A' ' 7' ' ' ARG . 48.7 t80 -97.25 157.04 16.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.783 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.463 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -52.86 135.45 36.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.144 179.869 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.05 -21.28 25.12 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.05 171.72 9.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 111.014 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -105.9 150.9 25.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.7 p -144.6 142.63 30.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.714 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.481 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.84 168.56 9.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.024 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.457 HG23 ' CG ' ' A' ' 14' ' ' TYR . 22.8 m -63.2 -46.75 95.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.544 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.457 ' CG ' HG23 ' A' ' 13' ' ' VAL . 10.1 m-85 -90.61 21.07 4.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.836 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.416 ' HB3' ' HG2' ' A' ' 12' ' ' ARG . 1.9 p -60.58 169.12 1.89 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.789 0.328 . . . . 0.0 110.834 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.23 -123.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.121 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.9 mtm-85 -60.72 156.38 17.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.751 0.31 . . . . 0.0 110.7 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.5 m -69.81 178.09 2.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.86 -179.67 1.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 68.6 m -64.77 165.81 9.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.866 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -59.24 122.71 14.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.18 -17.18 58.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.656 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.463 ' CE2' ' HB3' ' A' ' 7' ' ' ARG . 19.4 m-85 -118.78 143.57 46.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -128.6 173.71 10.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.9 t -91.04 152.68 20.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -139.34 138.97 37.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.33 164.6 18.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 57.7 m-20 -78.03 -53.81 6.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.014 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 5.2 p90 -155.84 160.77 30.56 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.88 99.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.7 2.267 . . . . 0.0 112.186 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.15 23.93 4.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.611 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.6 p -102.18 162.85 12.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.846 0.355 . . . . 0.0 110.821 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 34' ' ' PHE . 19.3 tt -108.76 -44.46 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.06 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.481 ' CD1' ' HB3' ' A' ' 12' ' ' ARG . 3.3 m-85 -105.51 153.84 21.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.896 0.379 . . . . 0.0 111.083 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.83 -144.96 4.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -145.93 157.55 43.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.0 t -83.07 135.73 34.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.3 m -129.97 162.75 27.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.782 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.455 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -79.68 137.12 36.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.881 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.5 ttm-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.797 179.945 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.773 0.321 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -95.98 167.6 11.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.696 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.5 134.08 55.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.62 -15.51 52.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.585 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.94 163.83 14.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.875 0.369 . . . . 0.0 111.065 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -93.02 144.06 25.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.099 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.1 p -153.77 137.24 15.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.557 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.88 162.96 12.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.382 . . . . 0.0 111.053 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.444 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.7 m -55.33 -46.37 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.469 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.444 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.8 m-85 -90.53 20.76 4.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.812 -179.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.2 p -60.91 172.14 1.04 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.721 0.296 . . . . 0.0 110.775 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.93 -125.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.31 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -64.31 167.37 6.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.786 0.326 . . . . 0.0 110.771 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.1 m -70.0 179.98 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.802 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.02 -176.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.2 m -64.02 -177.67 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.68 111.4 4.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.96 18.4 37.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.682 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 38.9 m-85 -139.99 154.61 47.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.789 0.328 . . . . 0.0 110.825 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.42 ' CE2' ' HG2' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -137.36 -178.24 5.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.107 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.7 t -110.15 108.24 18.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 65.9 mtp85 -101.04 128.67 46.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -70.07 159.25 34.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.37 -72.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -142.08 163.27 41.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -48.28 101.71 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.561 2.174 . . . . 0.0 112.404 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.26 26.05 3.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.572 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 m -110.01 163.9 13.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.803 0.335 . . . . 0.0 110.807 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.3 tt -113.09 -30.92 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.168 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -115.94 149.53 38.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.839 0.352 . . . . 0.0 111.018 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.99 -168.25 15.01 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.405 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -117.41 151.35 37.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.35 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.6 t -80.54 129.97 34.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.7 m -130.05 161.73 30.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.444 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -72.43 155.2 40.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.42 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.776 0.322 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -91.37 169.3 10.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.69 130.88 48.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.45 26.53 9.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.483 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.53 156.06 41.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.819 0.342 . . . . 0.0 111.056 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.34 135.09 33.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.6 p -145.76 134.0 21.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.725 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.99 169.32 9.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.472 ' CG2' ' CE2' ' A' ' 14' ' ' TYR . 34.2 m -63.67 -44.18 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.349 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.472 ' CE2' ' CG2' ' A' ' 13' ' ' VAL . 9.0 m-85 -90.57 22.16 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.702 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.58 -175.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.809 0.337 . . . . 0.0 110.767 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.53 -126.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.383 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 179.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.336 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.6 m -83.41 -179.47 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.93 173.05 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.6 m -60.12 166.16 3.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.812 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.404 ' O ' ' CD2' ' A' ' 21' ' ' PHE . 49.7 p90 -59.89 116.07 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.75 7.12 59.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.677 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.465 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 3.0 m-85 -132.93 141.65 48.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.753 0.311 . . . . 0.0 110.694 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.443 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -119.17 170.28 9.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.058 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.0 t -115.71 107.2 14.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.782 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.54 138.4 37.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 ptp85 -74.38 -176.66 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.755 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -85.71 -68.4 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -140.62 161.25 55.57 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.776 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.85 96.22 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.718 2.279 . . . . 0.0 112.16 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.65 24.69 3.33 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.641 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.9 t -97.75 168.52 10.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.73 0.3 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.9 tt -116.89 -30.4 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.405 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -123.29 152.73 41.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.907 0.384 . . . . 0.0 111.067 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.02 -148.36 4.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.386 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -137.65 169.98 16.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.763 0.316 . . . . 0.0 110.986 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.0 t -107.37 128.97 54.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.7 m -130.07 150.3 51.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.465 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -69.5 156.18 39.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.443 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.5 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.795 0.331 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -102.2 173.03 6.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.97 134.48 55.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.77 24.44 49.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.425 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.11 172.76 6.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.8 122.16 43.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.5 p -146.27 143.89 29.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.622 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.419 ' HD3' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -109.14 167.04 10.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.937 0.399 . . . . 0.0 111.137 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.448 HG21 ' CD1' ' A' ' 14' ' ' TYR . 15.6 m -56.76 -48.28 81.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.58 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.448 ' CD1' HG21 ' A' ' 13' ' ' VAL . 9.4 m-85 -90.69 23.79 2.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.872 -178.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -62.22 171.74 1.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.763 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.7 -126.03 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.283 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.85 162.46 8.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.745 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 m -69.93 176.4 3.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.03 -176.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.816 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.2 m -59.26 165.82 2.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -59.71 122.19 13.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.4 -19.91 52.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.589 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.431 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 3.8 m-85 -107.13 161.59 14.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.765 0.317 . . . . 0.0 110.819 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.424 ' CE2' ' HG3' ' A' ' 26' ' ' ARG . 1.4 p90 -147.71 173.78 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.9 t -106.29 148.16 28.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.007 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.424 ' HG3' ' CE2' ' A' ' 24' ' ' TYR . 30.9 mtp85 -140.02 140.75 36.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -77.38 172.46 13.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.779 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.06 -71.63 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -143.63 162.68 40.47 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -44.22 105.48 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.636 2.224 . . . . 0.0 112.546 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.97 27.47 4.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.428 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 p -109.99 160.48 16.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 110.943 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.2 tt -116.94 -30.66 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.419 ' CZ ' ' HD3' ' A' ' 12' ' ' ARG . 5.9 m-85 -117.89 149.48 40.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.0 -152.72 5.86 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.539 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.21 166.12 18.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.337 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 45.5 t -101.07 126.87 47.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -130.04 176.07 8.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.431 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -89.95 138.68 31.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.419 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 32.0 mtt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.0 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -100.51 169.35 9.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 128.5 31.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.81 26.55 16.6 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.449 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.99 167.81 10.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.828 0.346 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -92.32 126.13 37.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -149.82 139.57 21.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.411 ' HD3' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -109.14 169.81 8.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.957 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.423 HG23 ' CD1' ' A' ' 14' ' ' TYR . 11.7 m -59.31 -50.96 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.521 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.423 ' CD1' HG23 ' A' ' 13' ' ' VAL . 7.6 m-85 -90.8 28.16 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.89 -179.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.2 p -65.8 175.81 1.8 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.33 . . . . 0.0 110.893 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.0 -124.51 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.397 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -60.12 157.0 13.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.363 . . . . 0.0 110.788 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.3 m -70.02 178.57 2.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.97 -176.4 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.0 m -63.92 -179.62 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.802 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -73.61 106.93 5.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.04 -1.22 29.98 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.854 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.417 ' CE2' ' HG2' ' A' ' 39' ' ' ARG . 3.6 m-85 -131.56 152.01 51.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.827 0.346 . . . . 0.0 110.783 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.43 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -132.91 -178.17 4.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.987 179.725 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.0 t -106.01 118.99 38.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -107.12 140.33 40.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -76.2 151.81 36.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -59.87 -62.51 1.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -149.67 162.77 27.34 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -49.93 99.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.624 2.216 . . . . 0.0 112.411 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.93 26.85 3.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 m -108.29 159.58 16.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.8 tt -109.32 -30.23 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.038 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.411 ' CZ ' ' HD3' ' A' ' 12' ' ' ARG . 5.7 m-85 -117.8 151.02 38.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.908 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.97 -150.18 5.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.28 158.23 44.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.909 0.385 . . . . 0.0 110.942 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.6 t -84.9 131.25 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.8 m -129.99 172.68 11.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.417 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 7.8 mtm-85 -69.28 153.52 43.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.43 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.88 0.372 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -95.42 170.8 9.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.401 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -55.65 127.48 30.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.35 27.2 25.9 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.465 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.01 160.76 17.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 111.091 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.5 mtt180 -89.9 115.6 27.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.8 p -133.48 134.14 43.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.65 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.473 ' CB ' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.06 161.07 13.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.154 -179.767 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.431 HG21 ' CD1' ' A' ' 14' ' ' TYR . 11.4 m -52.97 -50.11 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.646 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.431 ' CD1' HG21 ' A' ' 13' ' ' VAL . 7.8 m-85 -90.72 25.92 2.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.747 -179.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 p -63.16 172.84 1.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.845 0.355 . . . . 0.0 110.866 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.9 -125.98 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -63.68 167.5 5.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.813 0.339 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 m -70.03 178.21 2.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.02 178.2 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 82.2 m -66.04 169.63 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -61.98 116.15 4.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.13 20.0 34.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.61 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.46 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 96.7 m-85 -140.08 152.67 46.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.421 ' CD1' ' HG3' ' A' ' 26' ' ' ARG . 13.5 p90 -131.64 165.18 24.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.0 t -118.54 117.83 30.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.421 ' HG3' ' CD1' ' A' ' 24' ' ' TYR . 85.5 mtt180 -120.72 144.9 48.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -77.07 -178.99 5.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -77.79 -50.5 12.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -160.01 160.65 26.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.767 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.02 95.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.62 2.213 . . . . 0.0 112.073 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.08 -21.09 3.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.577 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.97 175.61 4.31 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.746 0.307 . . . . 0.0 110.8 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.421 HG23 ' CD1' ' A' ' 34' ' ' PHE . 19.8 tt -120.03 -46.72 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.368 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.473 ' CD1' ' CB ' ' A' ' 12' ' ' ARG . 3.8 m-30 -102.68 153.82 19.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.8 0.333 . . . . 0.0 110.968 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.0 -154.22 6.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.526 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.5 m -132.84 153.32 51.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.812 0.339 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.1 t -92.67 129.0 38.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.032 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -130.12 151.28 50.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.46 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -63.53 149.06 47.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.7 mt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.827 0.346 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -98.29 167.47 10.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.804 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.45 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -56.94 141.56 44.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.54 23.1 60.97 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.419 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.9 167.94 9.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 111.019 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -100.64 122.46 43.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.012 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.6 p -135.79 143.13 45.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.756 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.448 ' HD2' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -108.62 171.72 7.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.974 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.471 ' CG2' ' CE2' ' A' ' 14' ' ' TYR . 21.5 m -68.85 -42.4 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.461 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.471 ' CE2' ' CG2' ' A' ' 13' ' ' VAL . 8.5 m-85 -90.29 19.11 5.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.659 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -177.97 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.881 0.372 . . . . 0.0 110.737 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.51 -125.0 0.87 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.453 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.6 167.1 2.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.751 0.31 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 m -77.19 -178.41 5.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.031 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.9 m -69.92 -178.77 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.9 m -61.33 168.07 2.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.804 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' A' ' 21' ' ' PHE . 26.9 p90 -58.98 121.86 12.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.871 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.17 -18.36 57.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.651 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.45 ' CE2' ' HB3' ' A' ' 7' ' ' ARG . 41.5 m-85 -114.84 154.18 29.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.859 0.361 . . . . 0.0 110.959 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.436 ' CE1' ' HA ' ' A' ' 40' ' ' ARG . 2.8 p90 -139.92 171.8 13.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.9 t -95.26 142.13 28.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.419 ' HD2' ' CZ ' ' A' ' 24' ' ' TYR . 14.3 mtp-105 -129.89 125.32 35.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -77.44 153.08 33.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -60.24 -69.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -147.15 162.51 32.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.15 102.87 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.49 2.127 . . . . 0.0 112.354 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.7 28.31 3.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.842 -0.695 . . . . 0.0 112.478 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.98 165.39 11.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 0.0 111.004 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.436 HG12 ' CE1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -112.29 -32.98 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.448 ' CE2' ' HD2' ' A' ' 12' ' ' ARG . 18.9 m-85 -133.79 148.62 51.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.854 0.359 . . . . 0.0 110.976 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.62 -150.66 5.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.55 156.91 46.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 38.1 t -93.91 132.65 38.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.1 m -130.06 171.3 12.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.448 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -78.47 138.7 38.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.989 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.436 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 16.6 ttt180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 63.3 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.839 0.352 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -89.97 178.49 6.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.746 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.25 134.41 44.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.02 24.53 48.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.42 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.95 159.14 17.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.4 mtp85 -97.66 130.42 44.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -144.15 167.94 21.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.697 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.407 ' HG2' ' HB2' ' A' ' 15' ' ' SER . 0.0 OUTLIER -130.4 164.02 25.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.968 0.413 . . . . 0.0 111.084 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.442 HG22 ' CD1' ' A' ' 14' ' ' TYR . 15.5 m -58.24 -47.91 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.633 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.442 ' CD1' HG22 ' A' ' 13' ' ' VAL . 9.8 m-85 -90.6 24.48 2.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.934 -178.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.407 ' HB2' ' HG2' ' A' ' 12' ' ' ARG . 1.4 t -69.16 174.69 4.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.767 0.318 . . . . 0.0 110.821 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.61 -125.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.332 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -67.61 -178.19 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.784 0.326 . . . . 0.0 110.787 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.2 m -81.29 -179.09 7.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.92 -176.23 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.8 m -58.01 -176.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.71 115.07 9.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.94 5.41 58.45 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.961 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.451 ' CE2' ' CG ' ' A' ' 39' ' ' ARG . 7.0 m-85 -135.93 150.61 49.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.759 0.314 . . . . 0.0 110.795 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.486 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -129.67 -178.59 4.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.9 179.738 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.1 t -107.06 134.32 50.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.7 162.26 24.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -104.91 159.11 16.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.57 -70.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -142.95 162.57 42.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.97 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -51.56 109.01 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.547 2.164 . . . . 0.0 112.396 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.17 24.59 5.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.599 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 p -110.0 165.45 11.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.1 tt -113.2 -29.79 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -121.86 151.67 40.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.774 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.04 -148.06 4.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.635 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.0 m -131.63 164.19 26.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.7 t -87.64 137.89 31.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.7 m -130.1 154.13 47.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.451 ' CG ' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -69.94 157.45 37.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.486 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 25.0 ttp180 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.875 0.369 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -100.48 178.25 4.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.71 128.26 31.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.77 28.09 24.87 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.47 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.59 157.58 20.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.098 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.92 123.54 33.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.776 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.5 p -151.52 134.17 15.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.994 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.469 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.88 175.4 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 179.811 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.1 m -56.67 -56.35 14.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.469 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -90.86 24.57 2.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.798 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.0 p -55.53 163.71 1.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.819 0.343 . . . . 0.0 111.102 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.76 -122.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.316 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.28 143.45 39.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.764 0.316 . . . . 0.0 110.842 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 m -70.01 178.76 2.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.7 m -70.0 170.76 10.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.761 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.0 m -61.76 164.87 5.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -60.57 126.51 27.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.23 -9.22 65.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.748 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.448 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 5.2 m-85 -119.72 163.34 17.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.773 0.32 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.411 ' CE2' ' HD2' ' A' ' 26' ' ' ARG . 2.1 p90 -143.65 152.67 41.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.3 t -91.79 149.56 21.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.411 ' HD2' ' CE2' ' A' ' 24' ' ' TYR . 74.0 mtp180 -136.41 148.76 47.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -85.72 164.0 17.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -65.61 -72.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -135.92 161.4 62.88 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.78 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -50.5 92.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.74 2.293 . . . . 0.0 112.115 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.9 27.86 2.86 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.466 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.9 t -96.9 178.24 5.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.789 0.328 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.485 HG13 ' CD1' ' A' ' 34' ' ' PHE . 2.3 tp -117.46 -33.3 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.303 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.485 ' CD1' HG13 ' A' ' 33' ' ' ILE . 16.9 m-85 -131.11 152.49 50.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.917 0.389 . . . . 0.0 111.202 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.05 -150.52 5.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.424 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.5 m -132.46 164.24 27.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.758 0.313 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.1 t -102.93 137.41 41.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.8 m -129.98 160.35 33.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.448 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 13.1 ptm180 -75.08 133.9 41.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.411 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 1.9 ttt-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.741 0.305 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 pt -81.16 98.08 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.193 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.88 173.74 11.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.7 p -96.5 174.13 7.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mt -77.06 111.31 12.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -96.98 167.21 11.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.721 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.447 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -53.8 128.33 29.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.078 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.03 27.75 7.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.413 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.23 161.88 31.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 111.045 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.11 148.67 21.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 p -160.05 131.07 5.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.773 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.03 166.17 11.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.948 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.428 HG22 ' CG ' ' A' ' 14' ' ' TYR . 11.6 m -55.55 -50.94 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.573 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.428 ' CG ' HG22 ' A' ' 13' ' ' VAL . 7.4 m-85 -90.76 26.36 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.757 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.6 p -65.67 177.78 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.25 -122.95 0.13 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -55.97 148.33 17.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.857 0.36 . . . . 0.0 110.961 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.5 m -69.92 177.92 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.94 172.1 8.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.2 m -67.07 178.62 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -65.01 131.62 47.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.84 13.77 82.78 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.786 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 42.2 m-85 -140.08 130.9 25.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.735 0.303 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.455 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -115.16 -178.78 3.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.922 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.7 t -118.63 115.51 24.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.65 160.52 14.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -82.62 176.7 9.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.037 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.42 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 72.2 m-20 -90.03 -50.27 6.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.952 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.42 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 5.2 p90 -159.47 160.39 28.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.59 98.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.686 2.258 . . . . 0.0 112.132 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.31 25.48 3.78 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.99 165.28 11.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.706 0.288 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.5 tt -113.78 -31.03 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.201 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -110.42 155.99 21.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.884 0.373 . . . . 0.0 111.02 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.09 -145.35 4.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.47 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -150.06 159.64 44.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.739 0.305 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.4 t -84.92 133.67 34.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.6 m -130.01 157.51 42.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.469 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 2.3 ptm180 -72.4 142.52 48.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.455 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 22.7 mtp180 -66.57 167.61 10.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.76 141.13 47.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.3 p90 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.885 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.893 0.377 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.7 tp -104.2 139.22 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.2 t -109.24 -23.65 11.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.5 p -110.79 164.35 12.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 25.0 mt -71.63 134.01 46.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.417 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 2.4 t80 -106.08 173.97 6.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.434 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -52.74 134.74 36.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.15 28.18 56.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.04 152.69 23.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 111.03 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -90.03 119.28 30.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -138.98 137.04 36.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.22 166.66 10.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.441 HG23 ' CD1' ' A' ' 14' ' ' TYR . 16.1 m -56.47 -47.23 82.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.439 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.441 ' CD1' HG23 ' A' ' 13' ' ' VAL . 9.7 m-85 -90.7 21.26 4.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.788 -179.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.6 p -60.97 176.82 0.37 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.825 0.345 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.96 -125.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.261 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.15 163.85 16.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.815 0.34 . . . . 0.0 110.668 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.6 m -69.96 176.33 3.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.94 179.12 2.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 91.9 m -64.28 171.26 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -60.78 120.49 10.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.81 17.21 56.95 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.649 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.448 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 46.7 m-85 -140.1 134.88 31.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.703 0.287 . . . . 0.0 110.782 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.427 ' CD1' ' HG2' ' A' ' 26' ' ' ARG . 2.3 p90 -112.37 -177.08 3.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.079 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.1 t -128.76 106.86 9.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.738 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.427 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 6.3 mmm180 -105.66 138.55 41.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.957 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -72.34 176.94 4.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -69.87 -64.59 0.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -149.79 162.53 27.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.773 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -47.22 97.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.512 2.141 . . . . 0.0 112.393 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.31 27.14 2.97 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.475 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -108.08 166.34 10.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 110.829 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.0 tt -114.18 -30.44 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.278 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -118.43 151.5 37.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 111.025 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.03 -152.73 5.86 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.452 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.2 m -134.09 163.87 28.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 0.0 110.981 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.1 t -98.29 126.28 43.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.6 m -130.05 154.36 47.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.448 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -64.06 155.43 31.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.423 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -89.83 68.41 7.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.971 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.02 173.65 7.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 35.3 p90 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.944 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.834 0.349 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.3 pt -118.58 108.33 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.24 -176.54 5.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.2 p -126.61 172.89 9.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.3 mt -86.67 132.11 33.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.971 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.405 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 17.3 t80 -97.18 166.49 11.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.425 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -56.76 139.71 49.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.978 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.38 26.53 65.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.437 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.28 173.49 6.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 111.079 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.5 mtt85 -103.33 116.86 33.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -136.86 158.96 43.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.448 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -121.03 163.66 17.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.106 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.446 HG23 ' CD1' ' A' ' 14' ' ' TYR . 16.0 m -57.89 -47.74 85.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.481 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.446 ' CD1' HG23 ' A' ' 13' ' ' VAL . 9.7 m-85 -90.6 23.37 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.789 -178.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.5 t -64.54 175.56 1.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.815 0.341 . . . . 0.0 110.871 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.21 -125.8 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.352 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.15 170.49 9.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.842 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.5 m -70.11 177.29 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.92 -175.34 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.725 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.5 m -56.21 178.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.58 109.73 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.97 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.36 -18.45 41.79 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.851 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.43 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 94.5 m-85 -106.7 160.87 15.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.866 0.365 . . . . 0.0 111.031 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.429 ' CE1' ' HA ' ' A' ' 40' ' ' ARG . 2.0 p90 -144.95 174.24 11.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.851 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.3 t -93.67 141.36 28.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.416 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -131.65 145.17 51.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -93.82 152.95 18.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.416 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 8.3 m-20 -61.98 -59.22 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.031 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.416 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 3.9 p90 -149.28 161.14 33.02 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.745 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.19 102.27 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.648 2.232 . . . . 0.0 112.125 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.73 26.89 3.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.487 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.0 t -108.81 164.26 12.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 0.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.439 HG12 ' CD1' ' A' ' 34' ' ' PHE . 12.4 tt -113.14 -30.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.448 ' CD2' ' HB3' ' A' ' 12' ' ' ARG . 21.6 m-85 -127.03 142.95 51.42 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.906 0.384 . . . . 0.0 110.956 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.77 -147.08 4.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.436 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 m -126.53 160.0 31.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 50.9 t -95.01 132.12 40.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.0 m -130.06 167.18 18.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.43 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 6.2 ppt_? -76.62 130.7 38.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.429 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.5 -55.25 18.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -161.58 36.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.856 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.4 t80 . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.919 0.39 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.0 pt -101.08 77.83 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.074 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.0 m -107.89 -22.79 12.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.8 p -108.89 160.57 15.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mt -68.96 107.72 3.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -93.82 175.01 6.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.48 142.84 51.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.78 27.59 64.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.373 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.2 167.32 10.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.838 0.352 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -91.18 123.25 34.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -150.19 132.19 15.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.418 ' HD2' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.9 169.88 8.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.003 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.425 HG22 ' CD1' ' A' ' 14' ' ' TYR . 8.6 m -55.99 -52.8 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.549 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.425 ' CD1' HG22 ' A' ' 13' ' ' VAL . 5.1 m-85 -90.88 28.8 1.47 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.627 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.6 p -63.75 162.29 13.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.46 -123.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -55.9 149.07 15.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 m -69.87 179.45 2.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.3 m -69.98 175.98 4.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.8 m -59.26 176.8 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.79 117.49 6.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.965 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.0 20.03 54.37 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.668 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.454 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 9.6 m-85 -132.1 141.7 49.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.699 0.285 . . . . 0.0 110.736 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.491 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 1.4 p90 -122.96 163.06 21.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.86 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.6 t -104.43 113.75 27.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.987 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.47 150.34 23.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.02 176.86 8.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.409 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 35.1 m-20 -83.04 -64.38 1.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 7.1 p90 -148.89 162.61 28.82 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.74 100.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.608 2.205 . . . . 0.0 112.29 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.27 26.34 4.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.51 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 m -110.08 161.55 15.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.6 tt -110.89 -30.8 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.053 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.418 ' CZ ' ' HD2' ' A' ' 12' ' ' ARG . 4.0 m-85 -111.67 152.42 27.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.942 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.97 -150.77 5.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.559 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.85 168.38 17.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.7 t -100.38 132.53 45.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.4 m -130.07 161.17 31.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.454 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -82.73 142.21 31.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.727 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.491 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 9.3 ttt-85 -73.89 89.61 1.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -112.48 -178.55 3.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 60.8 t80 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.947 -179.921 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.794 0.33 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.422 ' N ' ' CD1' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -140.7 153.95 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.9 p -133.74 111.19 10.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.1 p -89.95 166.49 13.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.8 mt -87.01 123.5 32.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -99.33 174.65 6.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.68 130.73 46.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.002 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.96 26.19 15.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.425 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.6 147.08 49.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 111.079 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -90.0 142.03 28.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.5 p -146.91 142.41 27.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.749 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.433 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.96 174.38 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.0 0.429 . . . . 0.0 111.055 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.471 ' CG2' ' CE2' ' A' ' 14' ' ' TYR . 24.9 m -69.4 -43.32 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.481 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.471 ' CE2' ' CG2' ' A' ' 13' ' ' VAL . 8.7 m-85 -90.33 19.45 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.787 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -179.38 0.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 110.762 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.41 -125.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.41 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -75.26 174.68 9.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.785 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.6 m -70.01 -179.91 2.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.799 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.94 -176.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.3 m -65.78 -177.73 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -60.46 126.09 26.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.04 20.07 77.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.592 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.451 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 87.3 m-85 -136.27 138.45 41.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.722 0.296 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.484 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.2 OUTLIER -126.07 168.08 14.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.909 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.9 t -105.14 117.09 33.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -113.59 145.89 40.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -79.69 -178.44 6.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 24.5 m-20 -89.74 -44.29 10.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 2.1 p90 -160.04 162.07 24.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.789 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.86 96.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.579 2.186 . . . . 0.0 112.093 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.34 25.73 3.4 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.53 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 t -99.71 164.48 12.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.817 0.341 . . . . 0.0 110.829 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.407 HG12 ' CD1' ' A' ' 34' ' ' PHE . 16.8 tt -114.55 -30.15 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.246 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.433 ' HA ' ' HA ' ' A' ' 12' ' ' ARG . 8.5 m-85 -123.84 149.18 46.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.851 0.358 . . . . 0.0 111.088 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -147.88 -145.2 4.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.396 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.41 -177.71 4.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.88 0.371 . . . . 0.0 111.033 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 37.0 t -115.66 128.55 55.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.2 m -130.13 157.37 42.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.451 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 14.0 ptt-85 -73.29 154.52 40.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.484 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 6.8 mtp85 -70.06 150.58 46.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.977 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -111.5 151.51 28.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.166 -0.921 . . . . 0.0 110.872 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.828 0.347 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.4 mm -132.65 95.71 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.2 p -97.77 -23.68 15.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p -95.09 -176.79 3.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.1 mt -109.26 115.54 30.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -90.08 175.74 7.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.27 142.94 41.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.75 26.01 70.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.425 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.74 166.21 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -95.95 125.86 40.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.2 p -146.79 170.28 17.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.432 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -133.2 171.27 14.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.856 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.424 HG22 ' CG ' ' A' ' 14' ' ' TYR . 14.2 m -62.4 -51.28 74.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.514 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.424 ' CG ' HG22 ' A' ' 13' ' ' VAL . 7.6 m-85 -90.77 23.6 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.939 -179.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.96 168.04 2.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.885 0.374 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.41 -125.14 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.325 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 160.97 9.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.778 0.323 . . . . 0.0 110.681 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.2 m -69.93 -179.5 1.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.02 -176.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.714 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.6 m -59.87 176.04 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.762 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.1 116.61 6.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.827 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.33 6.14 66.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.772 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.426 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 9.2 m-85 -129.95 150.31 51.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.835 0.35 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.426 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -134.46 176.13 8.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.022 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.5 t -107.98 136.55 47.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.799 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -127.41 140.83 51.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -70.08 161.74 29.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -69.85 -56.13 7.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -150.88 163.7 22.85 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -48.76 94.23 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.569 2.179 . . . . 0.0 112.4 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.93 40.56 1.17 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.363 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.5 t -110.03 165.04 12.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 111.032 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.462 HG13 ' CD1' ' A' ' 34' ' ' PHE . 1.8 tp -113.21 -32.26 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.462 ' CD1' HG13 ' A' ' 33' ' ' ILE . 16.6 m-85 -131.47 130.88 43.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.808 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.28 -151.25 7.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.538 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 58.7 m -124.29 162.14 24.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 110.983 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.7 t -95.11 138.26 33.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.2 m -130.03 167.48 18.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.426 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -81.24 152.27 27.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.426 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -82.3 148.87 28.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -171.29 76.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.82 0.343 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.419 HD13 HG22 ' A' ' 2' ' ' ILE . 0.2 OUTLIER -93.86 17.77 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.546 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -113.4 -22.57 10.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.144 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.4 p -122.79 -176.51 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.3 mt -103.52 133.33 48.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.422 ' CE2' ' HG3' ' A' ' 7' ' ' ARG . 31.2 t80 -89.93 160.56 16.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.756 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.447 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -59.0 143.93 46.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.994 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.26 25.31 64.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.77 174.39 5.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -105.18 114.4 28.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.964 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.7 p -128.44 158.16 39.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.71 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.424 ' HB3' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -119.89 161.4 20.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.995 0.426 . . . . 0.0 111.121 -179.822 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.439 HG21 ' CD1' ' A' ' 14' ' ' TYR . 13.7 m -55.94 -48.54 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.651 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.439 ' CD1' HG21 ' A' ' 13' ' ' VAL . 8.8 m-85 -90.57 25.33 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.818 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.2 t -64.14 174.56 1.53 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.769 0.318 . . . . 0.0 110.798 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.79 -125.19 0.11 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.406 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -59.04 163.03 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 m -71.96 177.47 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.01 -176.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.8 m -66.47 -177.9 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -70.92 111.4 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.32 9.38 44.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.801 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.447 ' CE2' ' HB3' ' A' ' 7' ' ' ARG . 70.4 m-85 -140.1 150.9 44.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.809 0.338 . . . . 0.0 110.843 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -134.65 -178.32 5.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.042 179.779 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.5 t -108.39 118.19 36.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.981 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -114.62 140.58 48.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -82.23 157.92 23.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -63.94 -63.89 1.04 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -145.29 160.41 45.61 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.778 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.57 95.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.657 2.238 . . . . 0.0 112.073 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.19 -19.94 3.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.62 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.4 t -70.81 161.64 30.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.761 0.315 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.0 tt -109.53 -30.33 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 12' ' ' ARG . 5.7 m-85 -117.76 152.7 34.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.895 0.379 . . . . 0.0 110.94 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.52 -151.1 5.37 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.545 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.9 m -131.92 147.02 52.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.349 . . . . 0.0 111.01 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.8 t -80.23 126.44 31.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.416 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 21.0 m -130.18 153.35 48.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.445 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 4.0 ppt_? -60.42 168.32 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.975 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -98.86 -47.39 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.55 152.19 26.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.908 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.852 0.358 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 mp -80.13 127.24 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -82.59 89.36 6.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.0 p -95.21 -179.97 4.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 mt -77.0 89.24 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -89.97 174.38 7.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.73 155.55 7.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.2 23.96 76.48 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.02 179.56 4.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.768 0.318 . . . . 0.0 111.067 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -114.92 137.43 51.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -150.28 158.25 43.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.72 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.417 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -119.3 162.01 19.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.901 0.381 . . . . 0.0 111.093 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.473 ' CG2' ' CE2' ' A' ' 14' ' ' TYR . 34.4 m -58.11 -43.33 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.445 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.473 ' CE2' ' CG2' ' A' ' 13' ' ' VAL . 8.9 m-85 -90.45 21.93 3.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.786 -178.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.7 t -69.57 171.25 9.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.838 0.352 . . . . 0.0 110.749 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.13 -125.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.351 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.22 172.62 2.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.851 0.357 . . . . 0.0 110.758 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -78.29 -177.01 4.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.86 -178.61 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.701 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.5 m -57.49 -176.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.0 122.03 17.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.81 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.03 4.0 78.89 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.764 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.457 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 4.5 m-85 -131.52 145.51 51.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.675 0.274 . . . . 0.0 110.749 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.474 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -127.7 -178.42 4.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.968 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.1 t -109.89 126.2 53.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -121.62 137.02 54.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -80.85 176.69 9.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -77.02 -66.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.402 ' CE1' ' OG ' ' A' ' 32' ' ' SER . 1.8 p90 -146.33 162.6 34.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -49.3 92.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.567 2.178 . . . . 0.0 112.412 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 133.25 -11.01 5.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.755 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.402 ' OG ' ' CE1' ' A' ' 29' ' ' PHE . 74.6 m -73.03 155.98 39.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.415 HG12 ' CD1' ' A' ' 34' ' ' PHE . 15.8 tt -107.07 -28.49 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.417 ' CD2' ' HB3' ' A' ' 12' ' ' ARG . 10.3 m-85 -127.18 147.52 50.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.911 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.6 -148.69 4.9 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.447 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 m -133.86 153.85 51.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 t -78.4 134.55 37.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 m -130.04 139.79 50.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.457 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -59.46 140.17 56.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.962 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.474 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 1.1 ttt-85 -83.86 150.8 25.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.22 -178.19 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.854 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.786 0.326 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 pp -146.51 158.93 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.64 121.16 31.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.7 p -139.48 -177.31 4.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 66.1 mt -87.95 113.99 24.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -107.32 176.62 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.744 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.2 132.48 19.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.966 0.413 . . . . 0.0 111.11 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.85 31.19 29.98 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.454 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.81 164.27 14.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.89 0.376 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -100.03 126.43 46.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.8 p -149.81 138.19 20.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.731 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.91 175.36 5.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.903 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.449 HG21 ' CG ' ' A' ' 14' ' ' TYR . 27.2 m -67.65 -46.87 81.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.394 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.449 ' CG ' HG21 ' A' ' 13' ' ' VAL . 10.3 m-85 -90.87 22.89 3.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.731 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.13 179.3 0.73 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.84 0.352 . . . . 0.0 110.79 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.14 -125.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.266 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -72.82 -176.92 2.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.762 0.315 . . . . 0.0 110.772 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.7 m -79.95 177.94 8.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.01 -175.28 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.6 m -55.98 178.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -60.68 118.47 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.66 20.0 62.61 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.674 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 17.9 m-85 -133.43 141.58 47.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.78 0.324 . . . . 0.0 110.814 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.432 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -123.54 -179.0 4.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.926 179.807 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.7 t -113.08 115.72 28.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.49 131.81 52.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.986 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -83.0 -174.23 5.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.415 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 54.7 m-20 -81.1 -61.97 1.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.415 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 11.7 p90 -156.78 162.3 27.85 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.751 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -46.24 93.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.627 2.218 . . . . 0.0 112.436 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.78 35.28 0.85 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.483 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.39 171.91 7.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.434 HG12 ' CE1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -120.08 -35.16 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.289 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.449 ' CD2' ' HB3' ' A' ' 12' ' ' ARG . 14.9 m-85 -130.63 148.89 52.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.961 0.41 . . . . 0.0 111.183 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.58 -151.42 5.45 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.433 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 m -131.85 154.85 48.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 36.4 t -76.82 136.51 38.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.1 m -130.04 135.98 48.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.444 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -60.0 144.88 48.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.432 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 9.6 ttt-85 -89.36 116.19 27.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.03 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.69 117.16 33.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.2 p90 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.817 0.341 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 tp -127.5 111.64 25.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.31 28.39 8.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.7 p -150.05 149.51 30.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.6 mt -66.75 109.91 3.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.429 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 7.8 t80 -90.26 167.59 12.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.758 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.429 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -49.07 135.09 16.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.192 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.49 27.03 37.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.25 154.36 29.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 111.058 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.54 127.94 37.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -142.82 140.71 31.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.762 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.438 ' HD2' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -104.3 176.0 5.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.817 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.46 HG22 ' CG ' ' A' ' 14' ' ' TYR . 32.1 m -69.35 -45.31 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.291 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.46 ' CG ' HG22 ' A' ' 13' ' ' VAL . 9.2 m-85 -90.65 21.34 4.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.724 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.59 179.27 0.64 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.753 0.311 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.38 -125.44 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.386 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 ttp85 -64.34 167.98 6.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.732 0.301 . . . . 0.0 110.827 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.8 m -76.66 178.18 6.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.07 -176.68 1.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 68.0 m -64.22 166.55 7.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.782 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -60.26 110.04 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.02 -10.68 31.81 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.86 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 25.1 m-85 -120.86 144.97 48.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.735 0.302 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.498 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.6 OUTLIER -124.28 -178.18 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.92 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 30.2 t -113.89 123.13 49.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -114.72 151.6 33.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.6 mtt85 -76.94 161.13 28.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.436 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 32.5 m-20 -77.72 -53.49 7.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.436 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 4.3 p90 -155.8 160.99 30.4 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.812 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.76 102.63 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.694 2.263 . . . . 0.0 112.211 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.4 24.28 5.7 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.561 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.407 ' OG ' ' CE2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -109.96 148.5 31.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.922 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.0 tt -98.39 -30.89 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.438 ' CZ ' ' HD2' ' A' ' 12' ' ' ARG . 3.4 m-85 -109.33 154.26 22.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.947 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.88 -153.78 6.19 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 m -131.79 167.69 19.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.871 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.1 t -97.52 132.06 43.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.5 m -129.96 163.92 25.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 18.2 ptt180 -79.46 155.4 28.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.498 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 40.8 mtp85 -77.06 148.65 36.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.96 170.9 7.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.6 p90 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.913 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.871 0.367 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.8 tp -154.71 129.85 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -172.06 -39.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.2 p -102.08 167.72 9.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.016 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.98 121.8 13.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -99.98 170.61 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.724 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.432 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -58.96 148.58 30.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.25 26.81 71.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.408 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.96 168.37 9.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.874 0.369 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 -95.29 129.42 42.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.809 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.0 p -148.46 137.67 21.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.816 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.459 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -103.44 173.67 6.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.463 ' CG2' ' CE2' ' A' ' 14' ' ' TYR . 34.3 m -69.21 -44.53 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.432 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.463 ' CE2' ' CG2' ' A' ' 13' ' ' VAL . 9.1 m-85 -90.53 21.36 3.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.752 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.49 -179.82 0.69 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.837 0.351 . . . . 0.0 110.869 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.37 -125.47 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.41 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.75 162.44 13.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.728 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.4 m -69.99 -179.98 2.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.93 -176.47 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.0 m -65.59 177.61 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.53 120.44 11.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.26 19.61 62.19 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.647 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.432 ' CE1' ' HB3' ' A' ' 7' ' ' ARG . 72.5 m-85 -140.07 148.21 41.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.75 0.309 . . . . 0.0 110.687 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.425 ' CE1' ' HA ' ' A' ' 40' ' ' ARG . 2.1 p90 -142.81 174.96 10.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.023 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.1 t -98.19 135.72 39.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -119.38 131.83 55.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -69.91 161.44 29.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.409 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 1.8 m-20 -75.52 -57.28 3.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 8.0 p90 -156.29 162.76 26.84 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -49.95 100.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.476 2.117 . . . . 0.0 112.335 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.73 25.22 4.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.465 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -101.04 167.21 10.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.937 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.409 HG22 ' CD1' ' A' ' 34' ' ' PHE . 18.2 tt -112.75 -46.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 12' ' ' ARG . 3.6 m-30 -103.67 159.7 15.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.862 0.363 . . . . 0.0 110.807 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.12 -161.96 10.21 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.562 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.1 m -128.19 150.34 50.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.8 t -79.67 128.01 32.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.06 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.1 m -129.98 157.09 43.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.425 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -70.35 130.8 42.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.425 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 4.7 ttm180 -71.94 93.09 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -119.09 178.67 4.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.964 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.822 0.344 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 pt -133.65 40.85 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.06 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.9 t -99.47 149.67 22.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.6 p -97.61 159.44 14.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.1 mt -62.74 122.57 16.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.425 ' CE2' ' HG3' ' A' ' 7' ' ' ARG . 48.7 t80 -97.25 157.04 16.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.783 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.463 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -52.86 135.45 36.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.144 179.869 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.05 -21.28 25.12 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.05 171.72 9.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 111.014 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -105.9 150.9 25.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.7 p -144.6 142.63 30.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.714 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.481 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.84 168.56 9.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.024 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.457 HG23 ' CG ' ' A' ' 14' ' ' TYR . 22.8 m -63.2 -46.75 95.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.544 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.457 ' CG ' HG23 ' A' ' 13' ' ' VAL . 10.1 m-85 -90.61 21.07 4.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.836 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.416 ' HB3' ' HG2' ' A' ' 12' ' ' ARG . 1.9 p -60.58 169.12 1.89 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.789 0.328 . . . . 0.0 110.834 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.23 -123.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.121 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.9 mtm-85 -60.72 156.38 17.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.751 0.31 . . . . 0.0 110.7 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.5 m -69.81 178.09 2.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.86 -179.67 1.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 68.6 m -64.77 165.81 9.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.866 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -59.24 122.71 14.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.18 -17.18 58.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.656 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.463 ' CE2' ' HB3' ' A' ' 7' ' ' ARG . 19.4 m-85 -118.78 143.57 46.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -128.6 173.71 10.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.9 t -91.04 152.68 20.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -139.34 138.97 37.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.33 164.6 18.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 57.7 m-20 -78.03 -53.81 6.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.014 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 5.2 p90 -155.84 160.77 30.56 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.88 99.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.7 2.267 . . . . 0.0 112.186 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.15 23.93 4.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.611 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.6 p -102.18 162.85 12.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.846 0.355 . . . . 0.0 110.821 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 34' ' ' PHE . 19.3 tt -108.76 -44.46 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.06 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.481 ' CD1' ' HB3' ' A' ' 12' ' ' ARG . 3.3 m-85 -105.51 153.84 21.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.896 0.379 . . . . 0.0 111.083 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.83 -144.96 4.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -145.93 157.55 43.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.0 t -83.07 135.73 34.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.3 m -129.97 162.75 27.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.782 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.455 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -79.68 137.12 36.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.881 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.5 ttm-85 -71.43 -60.49 2.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.797 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -161.16 126.2 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.808 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 37.0 p90 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.169 -0.92 . . . . 0.0 111.012 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.98 0.419 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.2 mm -114.55 68.83 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.5 p -145.45 175.51 10.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.8 p -130.25 -179.78 5.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.4 mt -89.62 110.47 21.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -95.98 167.6 11.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.696 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.5 134.08 55.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.62 -15.51 52.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.585 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.94 163.83 14.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.875 0.369 . . . . 0.0 111.065 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -93.02 144.06 25.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.099 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.1 p -153.77 137.24 15.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.557 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.88 162.96 12.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.382 . . . . 0.0 111.053 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.444 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.7 m -55.33 -46.37 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.469 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.444 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.8 m-85 -90.53 20.76 4.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.812 -179.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.2 p -60.91 172.14 1.04 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.721 0.296 . . . . 0.0 110.775 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.93 -125.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.31 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -64.31 167.37 6.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.786 0.326 . . . . 0.0 110.771 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.1 m -70.0 179.98 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.802 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.02 -176.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.2 m -64.02 -177.67 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.68 111.4 4.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.96 18.4 37.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.682 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 38.9 m-85 -139.99 154.61 47.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.789 0.328 . . . . 0.0 110.825 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.42 ' CE2' ' HG2' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -137.36 -178.24 5.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.107 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.7 t -110.15 108.24 18.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 65.9 mtp85 -101.04 128.67 46.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -70.07 159.25 34.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.37 -72.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -142.08 163.27 41.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -48.28 101.71 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.561 2.174 . . . . 0.0 112.404 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.26 26.05 3.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.572 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 m -110.01 163.9 13.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.803 0.335 . . . . 0.0 110.807 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.3 tt -113.09 -30.92 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.168 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -115.94 149.53 38.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.839 0.352 . . . . 0.0 111.018 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.99 -168.25 15.01 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.405 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -117.41 151.35 37.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.35 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.6 t -80.54 129.97 34.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.7 m -130.05 161.73 30.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.444 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -72.43 155.2 40.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.42 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -82.4 85.76 6.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.9 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -116.77 -175.42 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.862 0.363 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 pp -143.44 130.07 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.5 p -130.4 78.18 1.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.5 p -106.34 -179.11 3.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 mt -80.62 107.25 13.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -91.37 169.3 10.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.69 130.88 48.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.45 26.53 9.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.483 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.53 156.06 41.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.819 0.342 . . . . 0.0 111.056 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.34 135.09 33.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.6 p -145.76 134.0 21.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.725 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.99 169.32 9.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.472 ' CG2' ' CE2' ' A' ' 14' ' ' TYR . 34.2 m -63.67 -44.18 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.349 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.472 ' CE2' ' CG2' ' A' ' 13' ' ' VAL . 9.0 m-85 -90.57 22.16 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.702 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.58 -175.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.809 0.337 . . . . 0.0 110.767 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.53 -126.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.383 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 179.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.336 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.6 m -83.41 -179.47 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.93 173.05 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.6 m -60.12 166.16 3.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.812 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.404 ' O ' ' CD2' ' A' ' 21' ' ' PHE . 49.7 p90 -59.89 116.07 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.75 7.12 59.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.677 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.465 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 3.0 m-85 -132.93 141.65 48.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.753 0.311 . . . . 0.0 110.694 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.443 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -119.17 170.28 9.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.058 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.0 t -115.71 107.2 14.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.782 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.54 138.4 37.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 ptp85 -74.38 -176.66 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.755 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -85.71 -68.4 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -140.62 161.25 55.57 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.776 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.85 96.22 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.718 2.279 . . . . 0.0 112.16 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.65 24.69 3.33 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.641 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.9 t -97.75 168.52 10.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.73 0.3 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.9 tt -116.89 -30.4 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.405 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -123.29 152.73 41.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.907 0.384 . . . . 0.0 111.067 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.02 -148.36 4.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.386 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -137.65 169.98 16.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.763 0.316 . . . . 0.0 110.986 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.0 t -107.37 128.97 54.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.7 m -130.07 150.3 51.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.465 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -69.5 156.18 39.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.443 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -85.25 115.71 23.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -81.99 142.4 32.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.811 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.2 t80 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.864 0.364 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 mp -86.09 138.53 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.37 167.33 13.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.2 p -101.72 171.78 7.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.5 mt -77.94 122.78 25.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -102.2 173.03 6.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.97 134.48 55.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.77 24.44 49.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.425 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.11 172.76 6.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.8 122.16 43.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.5 p -146.27 143.89 29.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.622 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.419 ' HD3' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -109.14 167.04 10.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.937 0.399 . . . . 0.0 111.137 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.448 HG21 ' CD1' ' A' ' 14' ' ' TYR . 15.6 m -56.76 -48.28 81.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.58 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.448 ' CD1' HG21 ' A' ' 13' ' ' VAL . 9.4 m-85 -90.69 23.79 2.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.872 -178.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -62.22 171.74 1.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.763 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.7 -126.03 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.283 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.85 162.46 8.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.745 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 m -69.93 176.4 3.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.03 -176.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.816 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.2 m -59.26 165.82 2.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -59.71 122.19 13.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.4 -19.91 52.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.589 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.431 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 3.8 m-85 -107.13 161.59 14.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.765 0.317 . . . . 0.0 110.819 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.424 ' CE2' ' HG3' ' A' ' 26' ' ' ARG . 1.4 p90 -147.71 173.78 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.9 t -106.29 148.16 28.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.007 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.424 ' HG3' ' CE2' ' A' ' 24' ' ' TYR . 30.9 mtp85 -140.02 140.75 36.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -77.38 172.46 13.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.779 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.06 -71.63 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -143.63 162.68 40.47 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -44.22 105.48 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.636 2.224 . . . . 0.0 112.546 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.97 27.47 4.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.428 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 p -109.99 160.48 16.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 110.943 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.2 tt -116.94 -30.66 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.419 ' CZ ' ' HD3' ' A' ' 12' ' ' ARG . 5.9 m-85 -117.89 149.48 40.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.0 -152.72 5.86 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.539 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.21 166.12 18.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.337 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 45.5 t -101.07 126.87 47.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -130.04 176.07 8.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.431 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -89.95 138.68 31.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.419 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 32.0 mtt180 -60.02 -48.33 82.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -151.52 164.56 36.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.939 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 12.0 p90 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.676 0.274 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.41 HG23 HD13 ' A' ' 2' ' ' ILE . 0.2 OUTLIER -59.94 -29.1 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.242 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.8 p -154.66 -45.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.067 0.46 . . . . 0.0 111.052 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.7 p -94.1 174.81 6.97 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.842 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.0 mt -87.8 120.22 28.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -100.51 169.35 9.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 128.5 31.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.81 26.55 16.6 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.449 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.99 167.81 10.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.828 0.346 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -92.32 126.13 37.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -149.82 139.57 21.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.411 ' HD3' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -109.14 169.81 8.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.957 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.423 HG23 ' CD1' ' A' ' 14' ' ' TYR . 11.7 m -59.31 -50.96 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.521 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.423 ' CD1' HG23 ' A' ' 13' ' ' VAL . 7.6 m-85 -90.8 28.16 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.89 -179.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.2 p -65.8 175.81 1.8 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.33 . . . . 0.0 110.893 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.0 -124.51 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.397 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -60.12 157.0 13.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.363 . . . . 0.0 110.788 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.3 m -70.02 178.57 2.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.97 -176.4 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.0 m -63.92 -179.62 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.802 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -73.61 106.93 5.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.04 -1.22 29.98 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.854 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.417 ' CE2' ' HG2' ' A' ' 39' ' ' ARG . 3.6 m-85 -131.56 152.01 51.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.827 0.346 . . . . 0.0 110.783 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.43 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -132.91 -178.17 4.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.987 179.725 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.0 t -106.01 118.99 38.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -107.12 140.33 40.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -76.2 151.81 36.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -59.87 -62.51 1.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -149.67 162.77 27.34 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -49.93 99.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.624 2.216 . . . . 0.0 112.411 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.93 26.85 3.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 m -108.29 159.58 16.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.8 tt -109.32 -30.23 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.038 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.411 ' CZ ' ' HD3' ' A' ' 12' ' ' ARG . 5.7 m-85 -117.8 151.02 38.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.908 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.97 -150.18 5.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.28 158.23 44.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.909 0.385 . . . . 0.0 110.942 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.6 t -84.9 131.25 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.8 m -129.99 172.68 11.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.417 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 7.8 mtm-85 -69.28 153.52 43.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.43 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -92.32 -52.73 4.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -81.5 161.69 23.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.901 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.837 0.351 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mp -101.57 -54.72 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.057 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.38 -174.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.6 p -104.86 177.78 4.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mt -60.55 103.13 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -95.42 170.8 9.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.401 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -55.65 127.48 30.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.35 27.2 25.9 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.465 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.01 160.76 17.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 111.091 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.5 mtt180 -89.9 115.6 27.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.8 p -133.48 134.14 43.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.65 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.473 ' CB ' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.06 161.07 13.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.154 -179.767 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.431 HG21 ' CD1' ' A' ' 14' ' ' TYR . 11.4 m -52.97 -50.11 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.646 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.431 ' CD1' HG21 ' A' ' 13' ' ' VAL . 7.8 m-85 -90.72 25.92 2.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.747 -179.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 p -63.16 172.84 1.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.845 0.355 . . . . 0.0 110.866 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.9 -125.98 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -63.68 167.5 5.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.813 0.339 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 m -70.03 178.21 2.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.02 178.2 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 82.2 m -66.04 169.63 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -61.98 116.15 4.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.13 20.0 34.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.61 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 96.7 m-85 -140.08 152.67 46.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.421 ' CD1' ' HG3' ' A' ' 26' ' ' ARG . 13.5 p90 -131.64 165.18 24.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.0 t -118.54 117.83 30.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.421 ' HG3' ' CD1' ' A' ' 24' ' ' TYR . 85.5 mtt180 -120.72 144.9 48.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -77.07 -178.99 5.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -77.79 -50.5 12.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -160.01 160.65 26.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.767 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.02 95.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.62 2.213 . . . . 0.0 112.073 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.08 -21.09 3.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.577 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.97 175.61 4.31 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.746 0.307 . . . . 0.0 110.8 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.421 HG23 ' CD1' ' A' ' 34' ' ' PHE . 19.8 tt -120.03 -46.72 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.368 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.473 ' CD1' ' CB ' ' A' ' 12' ' ' ARG . 3.8 m-30 -102.68 153.82 19.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.8 0.333 . . . . 0.0 110.968 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.0 -154.22 6.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.526 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.5 m -132.84 153.32 51.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.812 0.339 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.1 t -92.67 129.0 38.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.032 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -130.12 151.28 50.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -63.53 149.06 47.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.51 164.54 24.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -91.54 94.95 9.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.891 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.812 0.339 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 tp -122.75 -44.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 p -135.09 -44.4 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.066 0.46 . . . . 0.0 111.084 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.6 p -116.4 170.5 8.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.843 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.7 mt -93.93 131.52 39.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -98.29 167.47 10.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.804 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.45 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -56.94 141.56 44.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.54 23.1 60.97 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.419 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.9 167.94 9.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 111.019 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -100.64 122.46 43.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.012 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.6 p -135.79 143.13 45.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.756 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.448 ' HD2' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -108.62 171.72 7.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.974 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.471 ' CG2' ' CE2' ' A' ' 14' ' ' TYR . 21.5 m -68.85 -42.4 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.461 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.471 ' CE2' ' CG2' ' A' ' 13' ' ' VAL . 8.5 m-85 -90.29 19.11 5.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.659 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -177.97 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.881 0.372 . . . . 0.0 110.737 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.51 -125.0 0.87 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.453 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.6 167.1 2.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.751 0.31 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 m -77.19 -178.41 5.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.031 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.9 m -69.92 -178.77 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.9 m -61.33 168.07 2.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.804 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' A' ' 21' ' ' PHE . 26.9 p90 -58.98 121.86 12.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.871 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.17 -18.36 57.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.651 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.45 ' CE2' ' HB3' ' A' ' 7' ' ' ARG . 41.5 m-85 -114.84 154.18 29.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.859 0.361 . . . . 0.0 110.959 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.436 ' CE1' ' HA ' ' A' ' 40' ' ' ARG . 2.8 p90 -139.92 171.8 13.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.9 t -95.26 142.13 28.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.419 ' HD2' ' CZ ' ' A' ' 24' ' ' TYR . 14.3 mtp-105 -129.89 125.32 35.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -77.44 153.08 33.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -60.24 -69.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -147.15 162.51 32.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.15 102.87 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.49 2.127 . . . . 0.0 112.354 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.7 28.31 3.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.842 -0.695 . . . . 0.0 112.478 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.98 165.39 11.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 0.0 111.004 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.436 HG12 ' CE1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -112.29 -32.98 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.448 ' CE2' ' HD2' ' A' ' 12' ' ' ARG . 18.9 m-85 -133.79 148.62 51.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.854 0.359 . . . . 0.0 110.976 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.62 -150.66 5.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.55 156.91 46.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 38.1 t -93.91 132.65 38.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.1 m -130.06 171.3 12.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.448 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -78.47 138.7 38.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.989 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.436 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 16.6 ttt180 -70.06 90.66 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -151.17 108.81 3.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.97 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.85 179.934 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.841 0.353 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -143.54 -45.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.8 m -60.37 87.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.5 p -109.05 177.06 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 63.3 mt -93.65 103.16 15.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.01 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -89.97 178.49 6.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.746 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.25 134.41 44.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.02 24.53 48.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.42 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.95 159.14 17.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.4 mtp85 -97.66 130.42 44.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -144.15 167.94 21.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.697 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.407 ' HG2' ' HB2' ' A' ' 15' ' ' SER . 0.0 OUTLIER -130.4 164.02 25.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.968 0.413 . . . . 0.0 111.084 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.442 HG22 ' CD1' ' A' ' 14' ' ' TYR . 15.5 m -58.24 -47.91 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.633 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.442 ' CD1' HG22 ' A' ' 13' ' ' VAL . 9.8 m-85 -90.6 24.48 2.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.934 -178.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.407 ' HB2' ' HG2' ' A' ' 12' ' ' ARG . 1.4 t -69.16 174.69 4.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.767 0.318 . . . . 0.0 110.821 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.61 -125.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.332 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -67.61 -178.19 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.784 0.326 . . . . 0.0 110.787 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.2 m -81.29 -179.09 7.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.92 -176.23 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.8 m -58.01 -176.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.71 115.07 9.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.94 5.41 58.45 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.961 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.451 ' CE2' ' CG ' ' A' ' 39' ' ' ARG . 7.0 m-85 -135.93 150.61 49.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.759 0.314 . . . . 0.0 110.795 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.486 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -129.67 -178.59 4.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.9 179.738 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.1 t -107.06 134.32 50.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.7 162.26 24.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -104.91 159.11 16.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.57 -70.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -142.95 162.57 42.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.97 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -51.56 109.01 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.547 2.164 . . . . 0.0 112.396 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.17 24.59 5.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.599 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 p -110.0 165.45 11.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.1 tt -113.2 -29.79 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -121.86 151.67 40.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.774 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.04 -148.06 4.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.635 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.0 m -131.63 164.19 26.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.7 t -87.64 137.89 31.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.7 m -130.1 154.13 47.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.451 ' CG ' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -69.94 157.45 37.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.486 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 25.0 ttp180 -97.04 53.04 1.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -124.31 77.45 1.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.4 p90 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.941 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 54.8 p90 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.798 0.332 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.6 tp -87.55 139.19 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.1 p -110.97 -23.72 10.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.272 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p -147.5 -177.55 5.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.9 mt -114.22 122.87 48.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -100.48 178.25 4.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.71 128.26 31.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.77 28.09 24.87 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.47 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.59 157.58 20.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.098 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.92 123.54 33.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.776 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.5 p -151.52 134.17 15.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.994 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.469 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.88 175.4 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 179.811 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.1 m -56.67 -56.35 14.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.469 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -90.86 24.57 2.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.798 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.0 p -55.53 163.71 1.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.819 0.343 . . . . 0.0 111.102 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.76 -122.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.316 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.28 143.45 39.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.764 0.316 . . . . 0.0 110.842 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 m -70.01 178.76 2.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.7 m -70.0 170.76 10.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.761 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.0 m -61.76 164.87 5.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -60.57 126.51 27.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.23 -9.22 65.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.748 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.448 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 5.2 m-85 -119.72 163.34 17.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.773 0.32 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.411 ' CE2' ' HD2' ' A' ' 26' ' ' ARG . 2.1 p90 -143.65 152.67 41.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.3 t -91.79 149.56 21.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.411 ' HD2' ' CE2' ' A' ' 24' ' ' TYR . 74.0 mtp180 -136.41 148.76 47.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -85.72 164.0 17.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -65.61 -72.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -135.92 161.4 62.88 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.78 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -50.5 92.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.74 2.293 . . . . 0.0 112.115 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.9 27.86 2.86 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.466 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.9 t -96.9 178.24 5.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.789 0.328 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.485 HG13 ' CD1' ' A' ' 34' ' ' PHE . 2.3 tp -117.46 -33.3 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.303 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.485 ' CD1' HG13 ' A' ' 33' ' ' ILE . 16.9 m-85 -131.11 152.49 50.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.917 0.389 . . . . 0.0 111.202 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.05 -150.52 5.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.424 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.5 m -132.46 164.24 27.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.758 0.313 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.1 t -102.93 137.41 41.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.8 m -129.98 160.35 33.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.448 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 13.1 ptm180 -75.08 133.9 41.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.411 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 1.9 ttt-85 -62.92 108.74 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -126.24 36.85 4.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' A' ' 11' ' ' CYS . 6.6 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.738 0.304 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -96.98 167.21 11.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.721 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.452 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -53.8 128.33 29.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.078 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.03 27.75 7.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.413 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.23 161.88 31.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 111.045 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.11 148.67 21.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.477 ' HB3' HD13 ' A' ' 5' ' ' LEU . 28.4 p -160.05 131.07 5.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.773 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.411 ' HG2' ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -100.03 166.17 11.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.948 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.507 HG23 ' CG ' ' A' ' 14' ' ' TYR . 11.6 m -55.55 -50.94 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.573 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.507 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.4 m-85 -90.76 26.36 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.757 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.411 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 27.6 p -65.67 177.78 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.25 -122.95 0.13 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -55.97 148.33 17.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.857 0.36 . . . . 0.0 110.961 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.5 m -69.92 177.92 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.421 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 1.8 m -69.94 172.1 8.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.2 m -67.07 178.62 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -65.01 131.62 47.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.84 13.77 82.78 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.786 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.472 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 42.2 m-85 -140.08 130.9 25.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.735 0.303 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.465 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -115.16 -178.78 3.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.922 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.7 t -118.63 115.51 24.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.65 160.52 14.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -82.62 176.7 9.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.037 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.442 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 72.2 m-20 -90.03 -50.27 6.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.952 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.442 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 5.2 p90 -159.47 160.39 28.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.59 98.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.686 2.258 . . . . 0.0 112.132 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.31 25.48 3.78 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.99 165.28 11.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.706 0.288 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.619 HG23 ' HD1' ' A' ' 34' ' ' PHE . 14.5 tt -113.78 -31.03 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.201 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.619 ' HD1' HG23 ' A' ' 33' ' ' ILE . 3.7 m-85 -110.42 155.99 21.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.884 0.373 . . . . 0.0 111.02 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.09 -145.35 4.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.47 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -150.06 159.64 44.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.739 0.305 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.4 t -84.92 133.67 34.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.6 m -130.01 157.51 42.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.472 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 2.3 ptm180 -72.4 142.52 48.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.465 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 22.7 mtp180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.782 HD13 ' HB3' ' A' ' 11' ' ' CYS . 25.0 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.437 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 2.4 t80 -106.08 173.97 6.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.444 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -52.74 134.74 36.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.15 28.18 56.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.04 152.69 23.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 111.03 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -90.03 119.28 30.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.782 ' HB3' HD13 ' A' ' 5' ' ' LEU . 26.5 p -138.98 137.04 36.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -101.22 166.66 10.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.023 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.55 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.1 m -56.47 -47.23 82.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.439 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.55 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.7 m-85 -90.7 21.26 4.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.788 -179.034 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.6 p -60.97 176.82 0.37 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.825 0.345 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.96 -125.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.261 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.15 163.85 16.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.815 0.34 . . . . 0.0 110.668 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.6 m -69.96 176.33 3.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.94 179.12 2.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 91.9 m -64.28 171.26 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -60.78 120.49 10.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.81 17.21 56.95 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.649 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.45 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 46.7 m-85 -140.1 134.88 31.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.703 0.287 . . . . 0.0 110.782 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.449 ' CD1' ' HG2' ' A' ' 26' ' ' ARG . 2.3 p90 -112.37 -177.08 3.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.079 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.1 t -128.76 106.86 9.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.738 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.449 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 6.3 mmm180 -105.66 138.55 41.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.957 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -72.34 176.94 4.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -69.87 -64.59 0.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -149.79 162.53 27.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.773 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -47.22 97.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.512 2.141 . . . . 0.0 112.393 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.31 27.14 2.97 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.475 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -108.08 166.34 10.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 110.829 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.668 HG23 ' HD1' ' A' ' 34' ' ' PHE . 16.0 tt -114.18 -30.44 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.278 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.668 ' HD1' HG23 ' A' ' 33' ' ' ILE . 6.1 m-85 -118.43 151.5 37.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 111.025 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.03 -152.73 5.86 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.452 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 37' ' ' CYS . 15.2 m -134.09 163.87 28.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 0.0 110.981 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.422 ' N ' HG22 ' A' ' 36' ' ' THR . 28.1 t -98.29 126.28 43.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.6 m -130.05 154.36 47.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.45 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -64.06 155.43 31.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.431 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.535 HD13 ' HB3' ' A' ' 11' ' ' CYS . 15.3 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.773 0.32 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.425 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 17.3 t80 -97.18 166.49 11.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.431 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -56.76 139.71 49.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.978 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.38 26.53 65.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.437 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.28 173.49 6.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 111.079 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.5 mtt85 -103.33 116.86 33.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.535 ' HB3' HD13 ' A' ' 5' ' ' LEU . 29.0 p -136.86 158.96 43.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.458 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -121.03 163.66 17.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.106 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.561 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.0 m -57.89 -47.74 85.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.481 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.561 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.7 m-85 -90.6 23.37 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.789 -178.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.5 t -64.54 175.56 1.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.815 0.341 . . . . 0.0 110.871 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.21 -125.8 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.352 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.15 170.49 9.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.842 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.5 m -70.11 177.29 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.92 -175.34 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.725 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.5 m -56.21 178.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.58 109.73 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.97 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.36 -18.45 41.79 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.851 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 94.5 m-85 -106.7 160.87 15.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.866 0.365 . . . . 0.0 111.031 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.434 ' CE2' ' HG2' ' A' ' 26' ' ' ARG . 2.0 p90 -144.95 174.24 11.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.851 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.3 t -93.67 141.36 28.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.434 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -131.65 145.17 51.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -93.82 152.95 18.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.437 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 8.3 m-20 -61.98 -59.22 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.031 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 3.9 p90 -149.28 161.14 33.02 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.745 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.19 102.27 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.648 2.232 . . . . 0.0 112.125 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.73 26.89 3.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.487 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.0 t -108.81 164.26 12.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 0.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.665 HG23 ' HD1' ' A' ' 34' ' ' PHE . 12.4 tt -113.14 -30.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.665 ' HD1' HG23 ' A' ' 33' ' ' ILE . 21.6 m-85 -127.03 142.95 51.42 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.906 0.384 . . . . 0.0 110.956 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.77 -147.08 4.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.436 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 m -126.53 160.0 31.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 50.9 t -95.01 132.12 40.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.0 m -130.06 167.18 18.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.44 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 6.2 ppt_? -76.62 130.7 38.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.43 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 19' ' ' CYS . 3.3 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.803 0.335 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -93.82 175.01 6.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.48 142.84 51.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.78 27.59 64.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.373 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.2 167.32 10.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.838 0.352 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -91.18 123.25 34.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -150.19 132.19 15.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.411 ' HD2' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.9 169.88 8.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.003 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.654 HG12 ' HE ' ' A' ' 27' ' ' ARG . 8.6 m -55.99 -52.8 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.549 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.491 ' N ' HG23 ' A' ' 13' ' ' VAL . 5.1 m-85 -90.88 28.8 1.47 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.627 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.6 p -63.75 162.29 13.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.46 -123.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -55.9 149.07 15.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 m -69.87 179.45 2.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 9.3 m -69.98 175.98 4.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.8 m -59.26 176.8 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.79 117.49 6.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.965 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.0 20.03 54.37 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.668 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 9.6 m-85 -132.1 141.7 49.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.699 0.285 . . . . 0.0 110.736 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.498 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 1.4 p90 -122.96 163.06 21.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.86 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.6 t -104.43 113.75 27.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.987 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.47 150.34 23.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.654 ' HE ' HG12 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -78.02 176.86 8.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.43 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 35.1 m-20 -83.04 -64.38 1.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.43 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 7.1 p90 -148.89 162.61 28.82 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.74 100.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.608 2.205 . . . . 0.0 112.29 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.27 26.34 4.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.51 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 m -110.08 161.55 15.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.618 HG23 ' HD1' ' A' ' 34' ' ' PHE . 13.6 tt -110.89 -30.8 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.053 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.618 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.0 m-85 -111.67 152.42 27.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.942 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.97 -150.77 5.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.559 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.85 168.38 17.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.7 t -100.38 132.53 45.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.4 m -130.07 161.17 31.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.469 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -82.73 142.21 31.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.727 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.498 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 9.3 ttt-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.69 HD13 ' HB3' ' A' ' 11' ' ' CYS . 51.8 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -99.33 174.65 6.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.68 130.73 46.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.002 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.96 26.19 15.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.425 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.6 147.08 49.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 111.079 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -90.0 142.03 28.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.69 ' HB3' HD13 ' A' ' 5' ' ' LEU . 25.5 p -146.91 142.41 27.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.749 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.451 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.96 174.38 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.0 0.429 . . . . 0.0 111.055 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.564 HG23 ' CG ' ' A' ' 14' ' ' TYR . 24.9 m -69.4 -43.32 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.481 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.564 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.7 m-85 -90.33 19.45 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.787 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -179.38 0.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 110.762 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.41 -125.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.41 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -75.26 174.68 9.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.785 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.6 m -70.01 -179.91 2.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.799 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.94 -176.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.3 m -65.78 -177.73 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -60.46 126.09 26.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.04 20.07 77.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.592 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.46 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 87.3 m-85 -136.27 138.45 41.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.722 0.296 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.493 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.2 OUTLIER -126.07 168.08 14.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.909 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.9 t -105.14 117.09 33.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -113.59 145.89 40.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -79.69 -178.44 6.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.434 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 24.5 m-20 -89.74 -44.29 10.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.434 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 2.1 p90 -160.04 162.07 24.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.789 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.86 96.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.579 2.186 . . . . 0.0 112.093 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.34 25.73 3.4 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.53 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 t -99.71 164.48 12.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.817 0.341 . . . . 0.0 110.829 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.661 HG23 ' HD1' ' A' ' 34' ' ' PHE . 16.8 tt -114.55 -30.15 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.246 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.661 ' HD1' HG23 ' A' ' 33' ' ' ILE . 8.5 m-85 -123.84 149.18 46.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.851 0.358 . . . . 0.0 111.088 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -147.88 -145.2 4.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.396 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.498 HG22 ' H ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -136.41 -177.71 4.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.88 0.371 . . . . 0.0 111.033 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.498 ' H ' HG22 ' A' ' 36' ' ' THR . 37.0 t -115.66 128.55 55.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.2 m -130.13 157.37 42.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.46 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 14.0 ptt-85 -73.29 154.52 40.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 6.8 mtp85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.977 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.559 HD13 ' HB3' ' A' ' 11' ' ' CYS . 80.1 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.811 0.339 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.413 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 2.9 t80 -90.08 175.74 7.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.413 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -57.27 142.94 41.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.984 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.75 26.01 70.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.425 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.74 166.21 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -95.95 125.86 40.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.559 ' HB3' HD13 ' A' ' 5' ' ' LEU . 18.2 p -146.79 170.28 17.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.439 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -133.2 171.27 14.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.856 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.519 HG23 ' CG ' ' A' ' 14' ' ' TYR . 14.2 m -62.4 -51.28 74.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.514 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.519 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.6 m-85 -90.77 23.6 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.939 -179.144 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.96 168.04 2.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.885 0.374 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.41 -125.14 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.325 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 160.97 9.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.778 0.323 . . . . 0.0 110.681 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.2 m -69.93 -179.5 1.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.02 -176.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.714 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.502 ' HG ' ' N ' ' A' ' 5' ' ' LEU . 72.6 m -59.87 176.04 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.762 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.1 116.61 6.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.827 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.33 6.14 66.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.772 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 9.2 m-85 -129.95 150.31 51.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.835 0.35 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.432 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -134.46 176.13 8.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.022 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.5 t -107.98 136.55 47.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.799 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -127.41 140.83 51.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.475 ' HD2' HG12 ' A' ' 13' ' ' VAL . 4.4 mtp180 -70.08 161.74 29.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -69.85 -56.13 7.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -150.88 163.7 22.85 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -48.76 94.23 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.569 2.179 . . . . 0.0 112.4 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.93 40.56 1.17 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.363 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.5 t -110.03 165.04 12.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 111.032 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.567 HG23 ' HD1' ' A' ' 34' ' ' PHE . 1.8 tp -113.21 -32.26 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.567 ' HD1' HG23 ' A' ' 33' ' ' ILE . 16.6 m-85 -131.47 130.88 43.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.808 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.28 -151.25 7.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.538 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 37' ' ' CYS . 58.7 m -124.29 162.14 24.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 110.983 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.441 ' N ' HG22 ' A' ' 36' ' ' THR . 48.7 t -95.11 138.26 33.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.959 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.2 m -130.03 167.48 18.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.44 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -81.24 152.27 27.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.432 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.486 HD13 ' HB3' ' A' ' 11' ' ' CYS . 42.3 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.785 0.326 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.441 ' CE2' ' HG3' ' A' ' 7' ' ' ARG . 31.2 t80 -89.93 160.56 16.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.756 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.454 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -59.0 143.93 46.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.994 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.26 25.31 64.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.429 ' O ' HG23 ' A' ' 36' ' ' THR . . . -105.77 174.39 5.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 111.103 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -105.18 114.4 28.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.964 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.486 ' HB3' HD13 ' A' ' 5' ' ' LEU . 31.7 p -128.44 158.16 39.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.71 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.435 ' HB3' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -119.89 161.4 20.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.995 0.426 . . . . 0.0 111.121 -179.822 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.535 HG23 ' CG ' ' A' ' 14' ' ' TYR . 13.7 m -55.94 -48.54 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.651 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.535 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.8 m-85 -90.57 25.33 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.818 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.416 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 8.2 t -64.14 174.56 1.53 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.769 0.318 . . . . 0.0 110.798 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.79 -125.19 0.11 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.406 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -59.04 163.03 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 m -71.96 177.47 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.01 -176.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.8 m -66.47 -177.9 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -70.92 111.4 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.32 9.38 44.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.801 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 70.4 m-85 -140.1 150.9 44.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.809 0.338 . . . . 0.0 110.843 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -134.65 -178.32 5.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.042 179.779 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.5 t -108.39 118.19 36.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.981 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -114.62 140.58 48.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -82.23 157.92 23.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -63.94 -63.89 1.04 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -145.29 160.41 45.61 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.778 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.57 95.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.657 2.238 . . . . 0.0 112.073 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.19 -19.94 3.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.62 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.4 t -70.81 161.64 30.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.761 0.315 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.661 HG23 ' HD1' ' A' ' 34' ' ' PHE . 15.0 tt -109.53 -30.33 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.131 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.661 ' HD1' HG23 ' A' ' 33' ' ' ILE . 5.7 m-85 -117.76 152.7 34.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.895 0.379 . . . . 0.0 110.94 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.52 -151.1 5.37 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.545 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 9' ' ' ALA . 33.9 m -131.92 147.02 52.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.349 . . . . 0.0 111.01 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.8 t -80.23 126.44 31.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.416 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 21.0 m -130.18 153.35 48.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 4.0 ppt_? -60.42 168.32 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.975 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -89.97 174.38 7.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.73 155.55 7.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.2 23.96 76.48 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.558 ' O ' HG23 ' A' ' 36' ' ' THR . . . -118.02 179.56 4.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.768 0.318 . . . . 0.0 111.067 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -114.92 137.43 51.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -150.28 158.25 43.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.72 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.431 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -119.3 162.01 19.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.901 0.381 . . . . 0.0 111.093 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.6 HG23 ' CG ' ' A' ' 14' ' ' TYR . 34.4 m -58.11 -43.33 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.445 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.6 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.9 m-85 -90.45 21.93 3.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.786 -178.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.7 t -69.57 171.25 9.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.838 0.352 . . . . 0.0 110.749 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.13 -125.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.351 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.22 172.62 2.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.851 0.357 . . . . 0.0 110.758 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -78.29 -177.01 4.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.86 -178.61 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.701 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.5 m -57.49 -176.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.0 122.03 17.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.81 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.03 4.0 78.89 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.764 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 4.5 m-85 -131.52 145.51 51.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.675 0.274 . . . . 0.0 110.749 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.48 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -127.7 -178.42 4.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.968 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.1 t -109.89 126.2 53.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -121.62 137.02 54.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -80.85 176.69 9.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -77.02 -66.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.4 ' CE1' ' OG ' ' A' ' 32' ' ' SER . 1.8 p90 -146.33 162.6 34.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -49.3 92.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.567 2.178 . . . . 0.0 112.412 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 133.25 -11.01 5.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.755 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.4 ' OG ' ' CE1' ' A' ' 29' ' ' PHE . 74.6 m -73.03 155.98 39.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.654 HG23 ' HD1' ' A' ' 34' ' ' PHE . 15.8 tt -107.07 -28.49 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.654 ' HD1' HG23 ' A' ' 33' ' ' ILE . 10.3 m-85 -127.18 147.52 50.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.911 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.6 -148.69 4.9 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.447 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 9' ' ' ALA . 2.4 m -133.86 153.85 51.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 t -78.4 134.55 37.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 m -130.04 139.79 50.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.459 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -59.46 140.17 56.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.962 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.48 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 1.1 ttt-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.65 HD13 ' HB3' ' A' ' 11' ' ' CYS . 66.1 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.845 0.355 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.414 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 2.0 t80 -107.32 176.62 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.744 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.414 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -49.2 132.48 19.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.966 0.413 . . . . 0.0 111.11 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.85 31.19 29.98 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.454 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 36' ' ' THR . . . -114.81 164.27 14.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.89 0.376 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -100.03 126.43 46.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.65 ' HB3' HD13 ' A' ' 5' ' ' LEU . 31.8 p -149.81 138.19 20.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.731 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.462 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.91 175.36 5.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.903 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.594 HG23 ' CG ' ' A' ' 14' ' ' TYR . 27.2 m -67.65 -46.87 81.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.394 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.594 ' CG ' HG23 ' A' ' 13' ' ' VAL . 10.3 m-85 -90.87 22.89 3.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.731 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.13 179.3 0.73 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.84 0.352 . . . . 0.0 110.79 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.14 -125.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.266 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -72.82 -176.92 2.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.762 0.315 . . . . 0.0 110.772 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.7 m -79.95 177.94 8.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.01 -175.28 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.6 m -55.98 178.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -60.68 118.47 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.66 20.0 62.61 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.674 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 17.9 m-85 -133.43 141.58 47.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.78 0.324 . . . . 0.0 110.814 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.435 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -123.54 -179.0 4.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.926 179.807 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.7 t -113.08 115.72 28.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.49 131.81 52.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.986 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -83.0 -174.23 5.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.435 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 54.7 m-20 -81.1 -61.97 1.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 11.7 p90 -156.78 162.3 27.85 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.751 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 29' ' ' PHE . 84.8 Cg_exo -46.24 93.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.627 2.218 . . . . 0.0 112.436 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.78 35.28 0.85 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.483 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.39 171.91 7.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.504 HG23 ' HD1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -120.08 -35.16 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.289 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.504 ' HD1' HG23 ' A' ' 33' ' ' ILE . 14.9 m-85 -130.63 148.89 52.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.961 0.41 . . . . 0.0 111.183 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.58 -151.42 5.45 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.433 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 9' ' ' ALA . 4.2 m -131.85 154.85 48.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 36.4 t -76.82 136.51 38.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.1 m -130.04 135.98 48.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -60.0 144.88 48.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 9.6 ttt-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.03 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.728 HD13 ' HB3' ' A' ' 11' ' ' CYS . 55.6 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.806 0.336 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.444 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 7.8 t80 -90.26 167.59 12.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.758 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.444 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -49.07 135.09 16.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.192 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.49 27.03 37.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.25 154.36 29.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 111.058 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.54 127.94 37.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.728 ' HB3' HD13 ' A' ' 5' ' ' LEU . 26.7 p -142.82 140.71 31.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.762 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.444 ' HD2' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -104.3 176.0 5.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.817 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.606 HG23 ' CG ' ' A' ' 14' ' ' TYR . 32.1 m -69.35 -45.31 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.291 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.606 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.2 m-85 -90.65 21.34 4.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.724 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.59 179.27 0.64 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.753 0.311 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.38 -125.44 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.386 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 ttp85 -64.34 167.98 6.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.732 0.301 . . . . 0.0 110.827 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.8 m -76.66 178.18 6.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.07 -176.68 1.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 68.0 m -64.22 166.55 7.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.782 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -60.26 110.04 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.02 -10.68 31.81 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.86 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.454 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 25.1 m-85 -120.86 144.97 48.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.735 0.302 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.509 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.6 OUTLIER -124.28 -178.18 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.92 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 30.2 t -113.89 123.13 49.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -114.72 151.6 33.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.6 mtt85 -76.94 161.13 28.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.459 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 32.5 m-20 -77.72 -53.49 7.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 4.3 p90 -155.8 160.99 30.4 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.812 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.76 102.63 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.694 2.263 . . . . 0.0 112.211 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.4 24.28 5.7 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.561 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.96 148.5 31.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.628 HG23 ' HD1' ' A' ' 34' ' ' PHE . 15.0 tt -98.39 -30.89 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.628 ' HD1' HG23 ' A' ' 33' ' ' ILE . 3.4 m-85 -109.33 154.26 22.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.947 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.88 -153.78 6.19 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 37' ' ' CYS . 2.8 m -131.79 167.69 19.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.406 ' H ' HG22 ' A' ' 36' ' ' THR . 30.1 t -97.52 132.06 43.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.5 m -129.96 163.92 25.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.454 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 18.2 ptt180 -79.46 155.4 28.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.509 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 40.8 mtp85 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 19' ' ' CYS . 8.5 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.806 0.336 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.409 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 7.1 t80 -99.98 170.61 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.724 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.437 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -58.96 148.58 30.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.25 26.81 71.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.408 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.96 168.37 9.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.874 0.369 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 -95.29 129.42 42.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.809 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.0 p -148.46 137.67 21.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.816 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.483 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -103.44 173.67 6.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.604 HG23 ' CG ' ' A' ' 14' ' ' TYR . 34.3 m -69.21 -44.53 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.432 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.604 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.1 m-85 -90.53 21.36 3.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.752 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.49 -179.82 0.69 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.837 0.351 . . . . 0.0 110.869 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.37 -125.47 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.41 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.75 162.44 13.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.728 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.4 m -69.99 -179.98 2.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 1.7 m -69.93 -176.47 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.0 m -65.59 177.61 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.53 120.44 11.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.26 19.61 62.19 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.647 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 7' ' ' ARG . 72.5 m-85 -140.07 148.21 41.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.75 0.309 . . . . 0.0 110.687 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.431 ' CE1' ' HA ' ' A' ' 40' ' ' ARG . 2.1 p90 -142.81 174.96 10.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.023 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.1 t -98.19 135.72 39.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.409 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 8.5 mmm180 -119.38 131.83 55.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -69.91 161.44 29.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.432 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 1.8 m-20 -75.52 -57.28 3.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.432 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 8.0 p90 -156.29 162.76 26.84 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -49.95 100.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.476 2.117 . . . . 0.0 112.335 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.73 25.22 4.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.465 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -101.04 167.21 10.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.937 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.501 HG23 ' N ' ' A' ' 34' ' ' PHE . 18.2 tt -112.75 -46.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.501 ' N ' HG23 ' A' ' 33' ' ' ILE . 3.6 m-30 -103.67 159.7 15.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.862 0.363 . . . . 0.0 110.807 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.12 -161.96 10.21 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.562 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.1 m -128.19 150.34 50.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.8 t -79.67 128.01 32.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.06 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.1 m -129.98 157.09 43.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.434 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -70.35 130.8 42.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.431 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 4.7 ttm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.423 HD13 ' HB3' ' A' ' 11' ' ' CYS . 18.1 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.777 0.322 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.437 ' CE2' ' HG3' ' A' ' 7' ' ' ARG . 48.7 t80 -97.25 157.04 16.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.783 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.469 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -52.86 135.45 36.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.144 179.869 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.05 -21.28 25.12 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.05 171.72 9.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 111.014 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -105.9 150.9 25.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.423 ' HB3' HD13 ' A' ' 5' ' ' LEU . 21.7 p -144.6 142.63 30.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.714 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.503 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.84 168.56 9.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.024 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.572 HG23 ' CG ' ' A' ' 14' ' ' TYR . 22.8 m -63.2 -46.75 95.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.544 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.572 ' CG ' HG23 ' A' ' 13' ' ' VAL . 10.1 m-85 -90.61 21.07 4.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.836 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.457 ' HB3' ' HG2' ' A' ' 12' ' ' ARG . 1.9 p -60.58 169.12 1.89 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.789 0.328 . . . . 0.0 110.834 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.23 -123.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.121 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.9 mtm-85 -60.72 156.38 17.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.751 0.31 . . . . 0.0 110.7 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.5 m -69.81 178.09 2.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.86 -179.67 1.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 68.6 m -64.77 165.81 9.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.866 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -59.24 122.71 14.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.18 -17.18 58.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.656 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CE2' ' HB3' ' A' ' 7' ' ' ARG . 19.4 m-85 -118.78 143.57 46.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -128.6 173.71 10.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.9 t -91.04 152.68 20.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -139.34 138.97 37.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.33 164.6 18.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.432 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 57.7 m-20 -78.03 -53.81 6.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.014 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.432 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 5.2 p90 -155.84 160.77 30.56 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.88 99.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.7 2.267 . . . . 0.0 112.186 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.15 23.93 4.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.611 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.6 p -102.18 162.85 12.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.846 0.355 . . . . 0.0 110.821 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.441 ' O ' HG22 ' A' ' 13' ' ' VAL . 19.3 tt -108.76 -44.46 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.06 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.503 ' CD1' ' HB3' ' A' ' 12' ' ' ARG . 3.3 m-85 -105.51 153.84 21.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.896 0.379 . . . . 0.0 111.083 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.83 -144.96 4.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -145.93 157.55 43.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.0 t -83.07 135.73 34.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.3 m -129.97 162.75 27.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.782 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.469 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -79.68 137.12 36.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.881 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.5 ttm-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.797 179.945 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 19' ' ' CYS . 11.4 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.773 0.321 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -95.98 167.6 11.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.696 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.5 134.08 55.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.62 -15.51 52.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.585 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.94 163.83 14.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.875 0.369 . . . . 0.0 111.065 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -93.02 144.06 25.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.099 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.1 p -153.77 137.24 15.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.557 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.402 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -102.88 162.96 12.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.382 . . . . 0.0 111.053 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.557 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.7 m -55.33 -46.37 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.469 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.557 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.8 m-85 -90.53 20.76 4.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.812 -179.028 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.2 p -60.91 172.14 1.04 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.721 0.296 . . . . 0.0 110.775 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.93 -125.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.31 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -64.31 167.37 6.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.786 0.326 . . . . 0.0 110.771 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.1 m -70.0 179.98 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.802 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.407 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 1.7 m -70.02 -176.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.2 m -64.02 -177.67 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.68 111.4 4.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.96 18.4 37.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.682 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.449 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 38.9 m-85 -139.99 154.61 47.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.789 0.328 . . . . 0.0 110.825 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.437 ' CE2' ' HG2' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -137.36 -178.24 5.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.107 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.7 t -110.15 108.24 18.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 65.9 mtp85 -101.04 128.67 46.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -70.07 159.25 34.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.37 -72.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -142.08 163.27 41.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -48.28 101.71 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.561 2.174 . . . . 0.0 112.404 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.26 26.05 3.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.572 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 m -110.01 163.9 13.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.803 0.335 . . . . 0.0 110.807 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.624 HG23 ' HD1' ' A' ' 34' ' ' PHE . 10.3 tt -113.09 -30.92 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.168 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.624 ' HD1' HG23 ' A' ' 33' ' ' ILE . 5.2 m-85 -115.94 149.53 38.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.839 0.352 . . . . 0.0 111.018 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.99 -168.25 15.01 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.405 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -117.41 151.35 37.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.35 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.6 t -80.54 129.97 34.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.7 m -130.05 161.73 30.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.449 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -72.43 155.2 40.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.437 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.57 HD13 ' HB3' ' A' ' 11' ' ' CYS . 10.0 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.776 0.322 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.408 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 10.1 t80 -91.37 169.3 10.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.408 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -57.69 130.88 48.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.941 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.45 26.53 9.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.483 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.53 156.06 41.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.819 0.342 . . . . 0.0 111.056 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.34 135.09 33.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.57 ' HB3' HD13 ' A' ' 5' ' ' LEU . 16.6 p -145.76 134.0 21.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.725 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.99 169.32 9.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.03 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.602 HG23 ' CG ' ' A' ' 14' ' ' TYR . 34.2 m -63.67 -44.18 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.349 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.602 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.0 m-85 -90.57 22.16 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.702 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.58 -175.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.809 0.337 . . . . 0.0 110.767 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.53 -126.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.383 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 179.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.336 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.6 m -83.41 -179.47 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 1.8 m -69.93 173.05 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.426 ' HG ' ' N ' ' A' ' 5' ' ' LEU . 53.6 m -60.12 166.16 3.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.812 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.404 ' O ' ' CD2' ' A' ' 21' ' ' PHE . 49.7 p90 -59.89 116.07 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.75 7.12 59.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.677 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.475 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 3.0 m-85 -132.93 141.65 48.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.753 0.311 . . . . 0.0 110.694 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.448 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -119.17 170.28 9.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.058 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.0 t -115.71 107.2 14.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.782 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.54 138.4 37.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 ptp85 -74.38 -176.66 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.755 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -85.71 -68.4 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -140.62 161.25 55.57 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.776 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.85 96.22 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.718 2.279 . . . . 0.0 112.16 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.65 24.69 3.33 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.641 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.9 t -97.75 168.52 10.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.73 0.3 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.662 HG23 ' HD1' ' A' ' 34' ' ' PHE . 15.9 tt -116.89 -30.4 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.405 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.662 ' HD1' HG23 ' A' ' 33' ' ' ILE . 8.6 m-85 -123.29 152.73 41.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.907 0.384 . . . . 0.0 111.067 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.02 -148.36 4.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.386 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 37' ' ' CYS . 1.3 m -137.65 169.98 16.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.763 0.316 . . . . 0.0 110.986 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.436 ' H ' HG22 ' A' ' 36' ' ' THR . 34.0 t -107.37 128.97 54.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.7 m -130.07 150.3 51.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.475 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -69.5 156.18 39.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.448 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.682 HD13 ' HB3' ' A' ' 11' ' ' CYS . 55.5 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.795 0.331 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -102.2 173.03 6.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.97 134.48 55.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.77 24.44 49.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.425 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.11 172.76 6.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.8 122.16 43.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.682 ' HB3' HD13 ' A' ' 5' ' ' LEU . 7.5 p -146.27 143.89 29.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.622 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.431 ' HD3' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -109.14 167.04 10.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.937 0.399 . . . . 0.0 111.137 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.548 HG23 ' CG ' ' A' ' 14' ' ' TYR . 15.6 m -56.76 -48.28 81.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.58 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.548 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.4 m-85 -90.69 23.79 2.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.872 -178.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -62.22 171.74 1.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.763 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.7 -126.03 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.283 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.85 162.46 8.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.745 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 m -69.93 176.4 3.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.03 -176.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.816 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.2 m -59.26 165.82 2.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -59.71 122.19 13.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.4 -19.91 52.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.589 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.441 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 3.8 m-85 -107.13 161.59 14.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.765 0.317 . . . . 0.0 110.819 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.445 ' CE2' ' HG3' ' A' ' 26' ' ' ARG . 1.4 p90 -147.71 173.78 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.9 t -106.29 148.16 28.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.007 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.445 ' HG3' ' CE2' ' A' ' 24' ' ' TYR . 30.9 mtp85 -140.02 140.75 36.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -77.38 172.46 13.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.779 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.06 -71.63 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -143.63 162.68 40.47 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -44.22 105.48 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.636 2.224 . . . . 0.0 112.546 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.97 27.47 4.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.428 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 p -109.99 160.48 16.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 110.943 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.671 HG23 ' HD1' ' A' ' 34' ' ' PHE . 15.2 tt -116.94 -30.66 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.671 ' HD1' HG23 ' A' ' 33' ' ' ILE . 5.9 m-85 -117.89 149.48 40.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.0 -152.72 5.86 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.539 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.21 166.12 18.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.337 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 45.5 t -101.07 126.87 47.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -130.04 176.07 8.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.441 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -89.95 138.68 31.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 32.0 mtt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.458 HD13 ' HB3' ' A' ' 11' ' ' CYS . 78.0 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -100.51 169.35 9.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 128.5 31.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.81 26.55 16.6 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.449 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.407 ' O ' HG23 ' A' ' 36' ' ' THR . . . -114.99 167.81 10.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.828 0.346 . . . . 0.0 111.089 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -92.32 126.13 37.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.458 ' HB3' HD13 ' A' ' 5' ' ' LEU . 25.8 p -149.82 139.57 21.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.406 ' HD3' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -109.14 169.81 8.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.957 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.498 HG23 ' CG ' ' A' ' 14' ' ' TYR . 11.7 m -59.31 -50.96 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.521 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.498 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.6 m-85 -90.8 28.16 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.89 -179.02 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.2 p -65.8 175.81 1.8 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.33 . . . . 0.0 110.893 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.0 -124.51 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.397 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -60.12 157.0 13.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.363 . . . . 0.0 110.788 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.3 m -70.02 178.57 2.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.97 -176.4 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.0 m -63.92 -179.62 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.802 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -73.61 106.93 5.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.04 -1.22 29.98 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.854 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.419 ' CE2' ' HG2' ' A' ' 39' ' ' ARG . 3.6 m-85 -131.56 152.01 51.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.827 0.346 . . . . 0.0 110.783 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -132.91 -178.17 4.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.987 179.725 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.0 t -106.01 118.99 38.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -107.12 140.33 40.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -76.2 151.81 36.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.415 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 33.4 m-20 -59.87 -62.51 1.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.415 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 7.3 p90 -149.67 162.77 27.34 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -49.93 99.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.624 2.216 . . . . 0.0 112.411 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.93 26.85 3.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 m -108.29 159.58 16.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.652 HG23 ' HD1' ' A' ' 34' ' ' PHE . 14.8 tt -109.32 -30.23 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.038 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.652 ' HD1' HG23 ' A' ' 33' ' ' ILE . 5.7 m-85 -117.8 151.02 38.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.908 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.97 -150.18 5.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 9' ' ' ALA . 0.2 OUTLIER -136.28 158.23 44.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.909 0.385 . . . . 0.0 110.942 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.6 t -84.9 131.25 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.8 m -129.99 172.68 11.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.419 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 7.8 mtm-85 -69.28 153.52 43.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.441 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 11' ' ' CYS . 6.1 mt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.88 0.372 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -95.42 170.8 9.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.4 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -55.65 127.48 30.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.35 27.2 25.9 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.465 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.01 160.76 17.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 111.091 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.5 mtt180 -89.9 115.6 27.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.44 ' HB3' HD22 ' A' ' 5' ' ' LEU . 27.8 p -133.48 134.14 43.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.65 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.473 ' CB ' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.06 161.07 13.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.154 -179.767 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.497 HG23 ' CG ' ' A' ' 14' ' ' TYR . 11.4 m -52.97 -50.11 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.646 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.497 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.8 m-85 -90.72 25.92 2.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.747 -179.085 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 p -63.16 172.84 1.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.845 0.355 . . . . 0.0 110.866 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.9 -125.98 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -63.68 167.5 5.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.813 0.339 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 m -70.03 178.21 2.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.02 178.2 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 82.2 m -66.04 169.63 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -61.98 116.15 4.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.13 20.0 34.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.61 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.468 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 96.7 m-85 -140.08 152.67 46.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.419 ' CD1' ' HG3' ' A' ' 26' ' ' ARG . 13.5 p90 -131.64 165.18 24.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.0 t -118.54 117.83 30.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.419 ' HG3' ' CD1' ' A' ' 24' ' ' TYR . 85.5 mtt180 -120.72 144.9 48.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -77.07 -178.99 5.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -77.79 -50.5 12.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -160.01 160.65 26.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.767 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.02 95.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.62 2.213 . . . . 0.0 112.073 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.08 -21.09 3.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.577 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.97 175.61 4.31 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.746 0.307 . . . . 0.0 110.8 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.499 HG23 ' N ' ' A' ' 34' ' ' PHE . 19.8 tt -120.03 -46.72 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.368 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.499 ' N ' HG23 ' A' ' 33' ' ' ILE . 3.8 m-30 -102.68 153.82 19.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.8 0.333 . . . . 0.0 110.968 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.0 -154.22 6.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.526 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.5 m -132.84 153.32 51.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.812 0.339 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.1 t -92.67 129.0 38.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.032 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -130.12 151.28 50.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.468 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -63.53 149.06 47.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 11' ' ' CYS . 21.7 mt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.827 0.346 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -98.29 167.47 10.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.804 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.454 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -56.94 141.56 44.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.54 23.1 60.97 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.419 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.9 167.94 9.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 111.019 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -100.64 122.46 43.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.012 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.529 ' HB3' HD13 ' A' ' 5' ' ' LEU . 23.6 p -135.79 143.13 45.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.756 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.435 ' HD2' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -108.62 171.72 7.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.974 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.561 HG23 ' CG ' ' A' ' 14' ' ' TYR . 21.5 m -68.85 -42.4 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.461 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.561 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.5 m-85 -90.29 19.11 5.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.659 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -177.97 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.881 0.372 . . . . 0.0 110.737 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.51 -125.0 0.87 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.453 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.6 167.1 2.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.751 0.31 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 m -77.19 -178.41 5.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.031 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.9 m -69.92 -178.77 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.9 m -61.33 168.07 2.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.804 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' A' ' 21' ' ' PHE . 26.9 p90 -58.98 121.86 12.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.871 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.17 -18.36 57.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.651 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 41.5 m-85 -114.84 154.18 29.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.859 0.361 . . . . 0.0 110.959 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CE1' ' HA ' ' A' ' 40' ' ' ARG . 2.8 p90 -139.92 171.8 13.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.9 t -95.26 142.13 28.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.403 ' HD2' ' CZ ' ' A' ' 24' ' ' TYR . 14.3 mtp-105 -129.89 125.32 35.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -77.44 153.08 33.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -60.24 -69.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -147.15 162.51 32.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.15 102.87 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.49 2.127 . . . . 0.0 112.354 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.7 28.31 3.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.842 -0.695 . . . . 0.0 112.478 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.98 165.39 11.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 0.0 111.004 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.532 HG23 ' HD1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -112.29 -32.98 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.532 ' HD1' HG23 ' A' ' 33' ' ' ILE . 18.9 m-85 -133.79 148.62 51.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.854 0.359 . . . . 0.0 110.976 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.62 -150.66 5.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.55 156.91 46.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 38.1 t -93.91 132.65 38.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.1 m -130.06 171.3 12.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -78.47 138.7 38.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.989 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.441 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 16.6 ttt180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 11' ' ' CYS . 63.3 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.839 0.352 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -89.97 178.49 6.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.746 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.25 134.41 44.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.02 24.53 48.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.42 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.95 159.14 17.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.4 mtp85 -97.66 130.42 44.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.552 ' HB3' HD13 ' A' ' 5' ' ' LEU . 30.9 p -144.15 167.94 21.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.697 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -130.4 164.02 25.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.968 0.413 . . . . 0.0 111.084 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.555 HG23 ' CG ' ' A' ' 14' ' ' TYR . 15.5 m -58.24 -47.91 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.633 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.555 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.8 m-85 -90.6 24.48 2.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.934 -178.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.402 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 1.4 t -69.16 174.69 4.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.767 0.318 . . . . 0.0 110.821 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.61 -125.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.332 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -67.61 -178.19 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.784 0.326 . . . . 0.0 110.787 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.2 m -81.29 -179.09 7.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.92 -176.23 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.8 m -58.01 -176.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.71 115.07 9.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.94 5.41 58.45 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.961 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.451 ' CE2' ' CG ' ' A' ' 39' ' ' ARG . 7.0 m-85 -135.93 150.61 49.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.759 0.314 . . . . 0.0 110.795 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.493 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -129.67 -178.59 4.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.9 179.738 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.1 t -107.06 134.32 50.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.7 162.26 24.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -104.91 159.11 16.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.57 -70.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -142.95 162.57 42.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.97 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -51.56 109.01 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.547 2.164 . . . . 0.0 112.396 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.17 24.59 5.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.599 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 p -110.0 165.45 11.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.67 HG23 ' HD1' ' A' ' 34' ' ' PHE . 15.1 tt -113.2 -29.79 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.67 ' HD1' HG23 ' A' ' 33' ' ' ILE . 7.2 m-85 -121.86 151.67 40.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.774 179.426 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.04 -148.06 4.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.635 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.0 m -131.63 164.19 26.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.7 t -87.64 137.89 31.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.7 m -130.1 154.13 47.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.451 ' CG ' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -69.94 157.45 37.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 25.0 ttp180 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.851 HD13 ' HB3' ' A' ' 11' ' ' CYS . 16.9 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.875 0.369 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -100.48 178.25 4.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.71 128.26 31.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.77 28.09 24.87 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.47 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.59 157.58 20.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.098 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.92 123.54 33.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.776 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.851 ' HB3' HD13 ' A' ' 5' ' ' LEU . 22.5 p -151.52 134.17 15.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.994 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.486 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.88 175.4 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 179.811 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.554 HG23 ' H ' ' A' ' 14' ' ' TYR . 3.1 m -56.67 -56.35 14.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.469 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.554 ' H ' HG23 ' A' ' 13' ' ' VAL . 4.8 m-85 -90.86 24.57 2.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.798 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.401 ' HB3' ' HG3' ' A' ' 12' ' ' ARG . 6.0 p -55.53 163.71 1.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.819 0.343 . . . . 0.0 111.102 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.76 -122.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.316 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.28 143.45 39.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.764 0.316 . . . . 0.0 110.842 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 m -70.01 178.76 2.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.7 m -70.0 170.76 10.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.761 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.0 m -61.76 164.87 5.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -60.57 126.51 27.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.23 -9.22 65.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.748 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.465 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 5.2 m-85 -119.72 163.34 17.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.773 0.32 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.417 ' CE1' ' HA ' ' A' ' 40' ' ' ARG . 2.1 p90 -143.65 152.67 41.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.3 t -91.79 149.56 21.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.402 ' HD2' ' CE2' ' A' ' 24' ' ' TYR . 74.0 mtp180 -136.41 148.76 47.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -85.72 164.0 17.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -65.61 -72.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.404 ' HB2' ' HD2' ' A' ' 30' ' ' PRO . 4.6 p90 -135.92 161.4 62.88 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.78 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 29' ' ' PHE . 9.2 Cg_endo -50.5 92.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.74 2.293 . . . . 0.0 112.115 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.9 27.86 2.86 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.466 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.9 t -96.9 178.24 5.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.789 0.328 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.566 HG23 ' HD1' ' A' ' 34' ' ' PHE . 2.3 tp -117.46 -33.3 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.303 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.566 ' HD1' HG23 ' A' ' 33' ' ' ILE . 16.9 m-85 -131.11 152.49 50.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.917 0.389 . . . . 0.0 111.202 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.05 -150.52 5.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.424 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.5 m -132.46 164.24 27.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.758 0.313 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.1 t -102.93 137.41 41.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.8 m -129.98 160.35 33.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.465 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 13.1 ptm180 -75.08 133.9 41.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.417 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 1.9 ttt-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.741 0.305 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.515 ' O ' HG23 ' A' ' 3' ' ' THR . 1.5 pt -81.16 98.08 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.193 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 2' ' ' ILE . 0.6 OUTLIER -164.88 173.74 11.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.7 p -96.5 174.13 7.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' A' ' 11' ' ' CYS . 6.6 mt -77.06 111.31 12.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -96.98 167.21 11.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.721 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.452 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -53.8 128.33 29.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.078 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.03 27.75 7.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.413 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.23 161.88 31.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 111.045 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.11 148.67 21.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.477 ' HB3' HD13 ' A' ' 5' ' ' LEU . 28.4 p -160.05 131.07 5.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.773 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.411 ' HG2' ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -100.03 166.17 11.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.948 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.507 HG23 ' CG ' ' A' ' 14' ' ' TYR . 11.6 m -55.55 -50.94 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.573 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.507 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.4 m-85 -90.76 26.36 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.757 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.411 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 27.6 p -65.67 177.78 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.25 -122.95 0.13 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -55.97 148.33 17.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.857 0.36 . . . . 0.0 110.961 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.5 m -69.92 177.92 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.421 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 1.8 m -69.94 172.1 8.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.2 m -67.07 178.62 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -65.01 131.62 47.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.84 13.77 82.78 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.786 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.472 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 42.2 m-85 -140.08 130.9 25.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.735 0.303 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.465 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -115.16 -178.78 3.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.922 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.7 t -118.63 115.51 24.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.65 160.52 14.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -82.62 176.7 9.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.037 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.442 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 72.2 m-20 -90.03 -50.27 6.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.952 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.442 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 5.2 p90 -159.47 160.39 28.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.59 98.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.686 2.258 . . . . 0.0 112.132 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.31 25.48 3.78 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.99 165.28 11.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.706 0.288 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.619 HG23 ' HD1' ' A' ' 34' ' ' PHE . 14.5 tt -113.78 -31.03 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.201 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.619 ' HD1' HG23 ' A' ' 33' ' ' ILE . 3.7 m-85 -110.42 155.99 21.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.884 0.373 . . . . 0.0 111.02 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.09 -145.35 4.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.47 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -150.06 159.64 44.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.739 0.305 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.4 t -84.92 133.67 34.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.6 m -130.01 157.51 42.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.472 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 2.3 ptm180 -72.4 142.52 48.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.465 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 22.7 mtp180 -66.57 167.61 10.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.76 141.13 47.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.3 p90 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.885 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.893 0.377 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.434 HD11 ' SG ' ' A' ' 20' ' ' CYS . 5.7 tp -104.2 139.22 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.2 t -109.24 -23.65 11.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.5 p -110.79 164.35 12.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.782 HD13 ' HB3' ' A' ' 11' ' ' CYS . 25.0 mt -71.63 134.01 46.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.437 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 2.4 t80 -106.08 173.97 6.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.444 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -52.74 134.74 36.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.15 28.18 56.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.04 152.69 23.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 111.03 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -90.03 119.28 30.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.782 ' HB3' HD13 ' A' ' 5' ' ' LEU . 26.5 p -138.98 137.04 36.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -101.22 166.66 10.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.023 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.55 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.1 m -56.47 -47.23 82.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.439 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.55 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.7 m-85 -90.7 21.26 4.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.788 -179.034 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.6 p -60.97 176.82 0.37 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.825 0.345 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.96 -125.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.261 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.15 163.85 16.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.815 0.34 . . . . 0.0 110.668 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.6 m -69.96 176.33 3.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.94 179.12 2.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.434 ' SG ' HD11 ' A' ' 2' ' ' ILE . 91.9 m -64.28 171.26 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -60.78 120.49 10.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.81 17.21 56.95 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.649 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.45 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 46.7 m-85 -140.1 134.88 31.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.703 0.287 . . . . 0.0 110.782 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.449 ' CD1' ' HG2' ' A' ' 26' ' ' ARG . 2.3 p90 -112.37 -177.08 3.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.079 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.1 t -128.76 106.86 9.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.738 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.449 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 6.3 mmm180 -105.66 138.55 41.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.957 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -72.34 176.94 4.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -69.87 -64.59 0.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -149.79 162.53 27.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.773 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -47.22 97.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.512 2.141 . . . . 0.0 112.393 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.31 27.14 2.97 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.475 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -108.08 166.34 10.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 110.829 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.668 HG23 ' HD1' ' A' ' 34' ' ' PHE . 16.0 tt -114.18 -30.44 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.278 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.668 ' HD1' HG23 ' A' ' 33' ' ' ILE . 6.1 m-85 -118.43 151.5 37.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 111.025 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.03 -152.73 5.86 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.452 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 37' ' ' CYS . 15.2 m -134.09 163.87 28.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 0.0 110.981 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.422 ' N ' HG22 ' A' ' 36' ' ' THR . 28.1 t -98.29 126.28 43.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.6 m -130.05 154.36 47.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.45 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -64.06 155.43 31.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.431 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -89.83 68.41 7.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.971 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.02 173.65 7.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 35.3 p90 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.944 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.834 0.349 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.3 pt -118.58 108.33 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.24 -176.54 5.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.2 p -126.61 172.89 9.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.535 HD13 ' HB3' ' A' ' 11' ' ' CYS . 15.3 mt -86.67 132.11 33.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.971 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.425 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 17.3 t80 -97.18 166.49 11.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.431 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -56.76 139.71 49.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.978 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.38 26.53 65.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.437 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.28 173.49 6.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 111.079 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.5 mtt85 -103.33 116.86 33.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.535 ' HB3' HD13 ' A' ' 5' ' ' LEU . 29.0 p -136.86 158.96 43.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.458 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -121.03 163.66 17.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.106 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.561 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.0 m -57.89 -47.74 85.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.481 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.561 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.7 m-85 -90.6 23.37 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.789 -178.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.5 t -64.54 175.56 1.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.815 0.341 . . . . 0.0 110.871 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.21 -125.8 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.352 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.15 170.49 9.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.842 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.5 m -70.11 177.29 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.92 -175.34 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.725 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.5 m -56.21 178.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.58 109.73 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.97 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.36 -18.45 41.79 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.851 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 94.5 m-85 -106.7 160.87 15.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.866 0.365 . . . . 0.0 111.031 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.434 ' CE2' ' HG2' ' A' ' 26' ' ' ARG . 2.0 p90 -144.95 174.24 11.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.851 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.3 t -93.67 141.36 28.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.434 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -131.65 145.17 51.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -93.82 152.95 18.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.437 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 8.3 m-20 -61.98 -59.22 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.031 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 3.9 p90 -149.28 161.14 33.02 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.745 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.19 102.27 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.648 2.232 . . . . 0.0 112.125 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.73 26.89 3.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.487 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.0 t -108.81 164.26 12.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 0.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.665 HG23 ' HD1' ' A' ' 34' ' ' PHE . 12.4 tt -113.14 -30.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.665 ' HD1' HG23 ' A' ' 33' ' ' ILE . 21.6 m-85 -127.03 142.95 51.42 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.906 0.384 . . . . 0.0 110.956 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.77 -147.08 4.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.436 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 m -126.53 160.0 31.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 50.9 t -95.01 132.12 40.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.0 m -130.06 167.18 18.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.44 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 6.2 ppt_? -76.62 130.7 38.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.43 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.5 -55.25 18.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -161.58 36.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.856 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.4 t80 . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.919 0.39 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.0 pt -101.08 77.83 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.074 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.0 m -107.89 -22.79 12.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.8 p -108.89 160.57 15.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 19' ' ' CYS . 3.3 mt -68.96 107.72 3.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -93.82 175.01 6.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.48 142.84 51.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.78 27.59 64.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.373 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.2 167.32 10.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.838 0.352 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -91.18 123.25 34.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -150.19 132.19 15.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.411 ' HD2' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.9 169.88 8.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.003 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.654 HG12 ' HE ' ' A' ' 27' ' ' ARG . 8.6 m -55.99 -52.8 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.549 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.491 ' N ' HG23 ' A' ' 13' ' ' VAL . 5.1 m-85 -90.88 28.8 1.47 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.627 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.6 p -63.75 162.29 13.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.46 -123.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -55.9 149.07 15.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 m -69.87 179.45 2.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 9.3 m -69.98 175.98 4.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.8 m -59.26 176.8 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.79 117.49 6.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.965 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.0 20.03 54.37 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.668 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 9.6 m-85 -132.1 141.7 49.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.699 0.285 . . . . 0.0 110.736 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.498 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 1.4 p90 -122.96 163.06 21.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.86 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.6 t -104.43 113.75 27.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.987 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.47 150.34 23.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.654 ' HE ' HG12 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -78.02 176.86 8.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.43 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 35.1 m-20 -83.04 -64.38 1.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.43 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 7.1 p90 -148.89 162.61 28.82 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.74 100.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.608 2.205 . . . . 0.0 112.29 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.27 26.34 4.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.51 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 m -110.08 161.55 15.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.618 HG23 ' HD1' ' A' ' 34' ' ' PHE . 13.6 tt -110.89 -30.8 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.053 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.618 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.0 m-85 -111.67 152.42 27.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.942 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.97 -150.77 5.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.559 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.85 168.38 17.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.7 t -100.38 132.53 45.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.4 m -130.07 161.17 31.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.469 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -82.73 142.21 31.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.727 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.498 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 9.3 ttt-85 -73.89 89.61 1.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -112.48 -178.55 3.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 60.8 t80 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.947 -179.921 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.794 0.33 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.655 HD13 ' H ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -140.7 153.95 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.9 p -133.74 111.19 10.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.1 p -89.95 166.49 13.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.69 HD13 ' HB3' ' A' ' 11' ' ' CYS . 51.8 mt -87.01 123.5 32.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -99.33 174.65 6.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.68 130.73 46.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.002 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.96 26.19 15.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.425 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.6 147.08 49.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 111.079 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -90.0 142.03 28.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.69 ' HB3' HD13 ' A' ' 5' ' ' LEU . 25.5 p -146.91 142.41 27.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.749 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.451 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.96 174.38 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.0 0.429 . . . . 0.0 111.055 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.564 HG23 ' CG ' ' A' ' 14' ' ' TYR . 24.9 m -69.4 -43.32 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.481 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.564 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.7 m-85 -90.33 19.45 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.787 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -179.38 0.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 110.762 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.41 -125.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.41 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -75.26 174.68 9.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.785 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.6 m -70.01 -179.91 2.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.799 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.94 -176.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.3 m -65.78 -177.73 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -60.46 126.09 26.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.04 20.07 77.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.592 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 87.3 m-85 -136.27 138.45 41.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.722 0.296 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.493 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.2 OUTLIER -126.07 168.08 14.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.909 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.9 t -105.14 117.09 33.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -113.59 145.89 40.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -79.69 -178.44 6.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.434 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 24.5 m-20 -89.74 -44.29 10.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.434 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 2.1 p90 -160.04 162.07 24.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.789 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.86 96.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.579 2.186 . . . . 0.0 112.093 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.34 25.73 3.4 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.53 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 t -99.71 164.48 12.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.817 0.341 . . . . 0.0 110.829 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.661 HG23 ' HD1' ' A' ' 34' ' ' PHE . 16.8 tt -114.55 -30.15 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.246 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.661 ' HD1' HG23 ' A' ' 33' ' ' ILE . 8.5 m-85 -123.84 149.18 46.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.851 0.358 . . . . 0.0 111.088 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -147.88 -145.2 4.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.396 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.498 HG22 ' H ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -136.41 -177.71 4.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.88 0.371 . . . . 0.0 111.033 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.498 ' H ' HG22 ' A' ' 36' ' ' THR . 37.0 t -115.66 128.55 55.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.2 m -130.13 157.37 42.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 14.0 ptt-85 -73.29 154.52 40.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 6.8 mtp85 -70.06 150.58 46.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.977 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -111.5 151.51 28.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.166 -0.921 . . . . 0.0 110.872 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.542 ' O ' HD13 ' A' ' 2' ' ' ILE . 44.0 m-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.828 0.347 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.542 HD13 ' O ' ' A' ' 1' ' ' TYR . 23.4 mm -132.65 95.71 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.2 p -97.77 -23.68 15.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p -95.09 -176.79 3.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.559 HD13 ' HB3' ' A' ' 11' ' ' CYS . 80.1 mt -109.26 115.54 30.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.413 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 2.9 t80 -90.08 175.74 7.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.413 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -57.27 142.94 41.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.984 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.75 26.01 70.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.425 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.74 166.21 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -95.95 125.86 40.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.559 ' HB3' HD13 ' A' ' 5' ' ' LEU . 18.2 p -146.79 170.28 17.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.439 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -133.2 171.27 14.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.856 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.519 HG23 ' CG ' ' A' ' 14' ' ' TYR . 14.2 m -62.4 -51.28 74.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.514 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.519 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.6 m-85 -90.77 23.6 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.939 -179.144 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.96 168.04 2.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.885 0.374 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.41 -125.14 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.325 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 160.97 9.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.778 0.323 . . . . 0.0 110.681 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.2 m -69.93 -179.5 1.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.02 -176.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.714 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.6 m -59.87 176.04 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.762 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.1 116.61 6.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.827 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.33 6.14 66.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.772 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 9.2 m-85 -129.95 150.31 51.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.835 0.35 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.432 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -134.46 176.13 8.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.022 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.5 t -107.98 136.55 47.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.799 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -127.41 140.83 51.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.475 ' HD2' HG12 ' A' ' 13' ' ' VAL . 4.4 mtp180 -70.08 161.74 29.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -69.85 -56.13 7.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -150.88 163.7 22.85 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -48.76 94.23 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.569 2.179 . . . . 0.0 112.4 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.93 40.56 1.17 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.363 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.5 t -110.03 165.04 12.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 111.032 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.567 HG23 ' HD1' ' A' ' 34' ' ' PHE . 1.8 tp -113.21 -32.26 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.567 ' HD1' HG23 ' A' ' 33' ' ' ILE . 16.6 m-85 -131.47 130.88 43.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.808 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.28 -151.25 7.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.538 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 37' ' ' CYS . 58.7 m -124.29 162.14 24.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 110.983 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.441 ' N ' HG22 ' A' ' 36' ' ' THR . 48.7 t -95.11 138.26 33.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.959 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.2 m -130.03 167.48 18.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.44 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -81.24 152.27 27.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.432 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -82.3 148.87 28.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -171.29 76.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.82 0.343 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.681 HD13 ' H ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -93.86 17.77 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.546 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -113.4 -22.57 10.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.144 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.4 p -122.79 -176.51 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.486 HD13 ' HB3' ' A' ' 11' ' ' CYS . 42.3 mt -103.52 133.33 48.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.441 ' CE2' ' HG3' ' A' ' 7' ' ' ARG . 31.2 t80 -89.93 160.56 16.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.756 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.454 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -59.0 143.93 46.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.994 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.26 25.31 64.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.429 ' O ' HG23 ' A' ' 36' ' ' THR . . . -105.77 174.39 5.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 111.103 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -105.18 114.4 28.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.964 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.486 ' HB3' HD13 ' A' ' 5' ' ' LEU . 31.7 p -128.44 158.16 39.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.71 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.435 ' HB3' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -119.89 161.4 20.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.995 0.426 . . . . 0.0 111.121 -179.822 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.535 HG23 ' CG ' ' A' ' 14' ' ' TYR . 13.7 m -55.94 -48.54 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.651 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.535 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.8 m-85 -90.57 25.33 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.818 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.416 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 8.2 t -64.14 174.56 1.53 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.769 0.318 . . . . 0.0 110.798 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.79 -125.19 0.11 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.406 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -59.04 163.03 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 m -71.96 177.47 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.01 -176.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.8 m -66.47 -177.9 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -70.92 111.4 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.32 9.38 44.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.801 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 70.4 m-85 -140.1 150.9 44.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.809 0.338 . . . . 0.0 110.843 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -134.65 -178.32 5.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.042 179.779 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.5 t -108.39 118.19 36.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.981 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -114.62 140.58 48.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -82.23 157.92 23.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -63.94 -63.89 1.04 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -145.29 160.41 45.61 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.778 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.57 95.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.657 2.238 . . . . 0.0 112.073 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.19 -19.94 3.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.62 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.4 t -70.81 161.64 30.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.761 0.315 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.661 HG23 ' HD1' ' A' ' 34' ' ' PHE . 15.0 tt -109.53 -30.33 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.131 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.661 ' HD1' HG23 ' A' ' 33' ' ' ILE . 5.7 m-85 -117.76 152.7 34.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.895 0.379 . . . . 0.0 110.94 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.52 -151.1 5.37 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.545 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 9' ' ' ALA . 33.9 m -131.92 147.02 52.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.349 . . . . 0.0 111.01 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.8 t -80.23 126.44 31.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.416 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 21.0 m -130.18 153.35 48.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 4.0 ppt_? -60.42 168.32 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.975 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -98.86 -47.39 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -156.55 152.19 26.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.908 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.852 0.358 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.577 ' H ' HD12 ' A' ' 2' ' ' ILE . 3.9 mp -80.13 127.24 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -82.59 89.36 6.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.0 p -95.21 -179.97 4.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 mt -77.0 89.24 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -89.97 174.38 7.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.73 155.55 7.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.2 23.96 76.48 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.558 ' O ' HG23 ' A' ' 36' ' ' THR . . . -118.02 179.56 4.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.768 0.318 . . . . 0.0 111.067 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -114.92 137.43 51.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -150.28 158.25 43.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.72 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.431 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -119.3 162.01 19.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.901 0.381 . . . . 0.0 111.093 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.6 HG23 ' CG ' ' A' ' 14' ' ' TYR . 34.4 m -58.11 -43.33 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.445 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.6 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.9 m-85 -90.45 21.93 3.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.786 -178.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.7 t -69.57 171.25 9.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.838 0.352 . . . . 0.0 110.749 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.13 -125.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.351 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.22 172.62 2.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.851 0.357 . . . . 0.0 110.758 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -78.29 -177.01 4.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.86 -178.61 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.701 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.5 m -57.49 -176.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.0 122.03 17.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.81 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.03 4.0 78.89 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.764 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 4.5 m-85 -131.52 145.51 51.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.675 0.274 . . . . 0.0 110.749 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.48 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -127.7 -178.42 4.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.968 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.1 t -109.89 126.2 53.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -121.62 137.02 54.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -80.85 176.69 9.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -77.02 -66.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.4 ' CE1' ' OG ' ' A' ' 32' ' ' SER . 1.8 p90 -146.33 162.6 34.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -49.3 92.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.567 2.178 . . . . 0.0 112.412 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 133.25 -11.01 5.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.755 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.4 ' OG ' ' CE1' ' A' ' 29' ' ' PHE . 74.6 m -73.03 155.98 39.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.654 HG23 ' HD1' ' A' ' 34' ' ' PHE . 15.8 tt -107.07 -28.49 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.654 ' HD1' HG23 ' A' ' 33' ' ' ILE . 10.3 m-85 -127.18 147.52 50.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.911 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.6 -148.69 4.9 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.447 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 9' ' ' ALA . 2.4 m -133.86 153.85 51.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 t -78.4 134.55 37.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 m -130.04 139.79 50.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.459 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -59.46 140.17 56.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.962 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.48 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 1.1 ttt-85 -83.86 150.8 25.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -104.22 -178.19 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.854 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.786 0.326 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 pp -146.51 158.93 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.64 121.16 31.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.7 p -139.48 -177.31 4.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.65 HD13 ' HB3' ' A' ' 11' ' ' CYS . 66.1 mt -87.95 113.99 24.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.414 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 2.0 t80 -107.32 176.62 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.744 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.414 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -49.2 132.48 19.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.966 0.413 . . . . 0.0 111.11 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.85 31.19 29.98 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.454 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 36' ' ' THR . . . -114.81 164.27 14.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.89 0.376 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -100.03 126.43 46.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.65 ' HB3' HD13 ' A' ' 5' ' ' LEU . 31.8 p -149.81 138.19 20.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.731 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.462 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.91 175.36 5.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.903 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.594 HG23 ' CG ' ' A' ' 14' ' ' TYR . 27.2 m -67.65 -46.87 81.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.394 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.594 ' CG ' HG23 ' A' ' 13' ' ' VAL . 10.3 m-85 -90.87 22.89 3.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.731 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.13 179.3 0.73 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.84 0.352 . . . . 0.0 110.79 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.14 -125.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.266 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -72.82 -176.92 2.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.762 0.315 . . . . 0.0 110.772 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.7 m -79.95 177.94 8.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.01 -175.28 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.6 m -55.98 178.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -60.68 118.47 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.66 20.0 62.61 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.674 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 17.9 m-85 -133.43 141.58 47.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.78 0.324 . . . . 0.0 110.814 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.435 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -123.54 -179.0 4.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.926 179.807 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.7 t -113.08 115.72 28.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.49 131.81 52.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.986 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -83.0 -174.23 5.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.435 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 54.7 m-20 -81.1 -61.97 1.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 11.7 p90 -156.78 162.3 27.85 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.751 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 29' ' ' PHE . 84.8 Cg_exo -46.24 93.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.627 2.218 . . . . 0.0 112.436 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.78 35.28 0.85 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.483 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.39 171.91 7.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.504 HG23 ' HD1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -120.08 -35.16 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.289 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.504 ' HD1' HG23 ' A' ' 33' ' ' ILE . 14.9 m-85 -130.63 148.89 52.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.961 0.41 . . . . 0.0 111.183 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.58 -151.42 5.45 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.433 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 9' ' ' ALA . 4.2 m -131.85 154.85 48.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 36.4 t -76.82 136.51 38.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.1 m -130.04 135.98 48.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -60.0 144.88 48.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 9.6 ttt-85 -89.36 116.19 27.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.03 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.69 117.16 33.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.2 p90 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.817 0.341 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.574 HG23 ' O ' ' A' ' 2' ' ' ILE . 8.5 tp -127.5 111.64 25.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.31 28.39 8.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.7 p -150.05 149.51 30.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.728 HD13 ' HB3' ' A' ' 11' ' ' CYS . 55.6 mt -66.75 109.91 3.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.444 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 7.8 t80 -90.26 167.59 12.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.758 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.444 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -49.07 135.09 16.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.192 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.49 27.03 37.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.25 154.36 29.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 111.058 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.54 127.94 37.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.728 ' HB3' HD13 ' A' ' 5' ' ' LEU . 26.7 p -142.82 140.71 31.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.762 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.444 ' HD2' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -104.3 176.0 5.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.817 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.606 HG23 ' CG ' ' A' ' 14' ' ' TYR . 32.1 m -69.35 -45.31 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.291 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.606 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.2 m-85 -90.65 21.34 4.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.724 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.59 179.27 0.64 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.753 0.311 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.38 -125.44 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.386 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 ttp85 -64.34 167.98 6.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.732 0.301 . . . . 0.0 110.827 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.8 m -76.66 178.18 6.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.07 -176.68 1.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 68.0 m -64.22 166.55 7.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.782 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -60.26 110.04 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.02 -10.68 31.81 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.86 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.454 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 25.1 m-85 -120.86 144.97 48.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.735 0.302 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.509 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.6 OUTLIER -124.28 -178.18 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.92 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 30.2 t -113.89 123.13 49.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -114.72 151.6 33.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.6 mtt85 -76.94 161.13 28.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.459 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 32.5 m-20 -77.72 -53.49 7.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 4.3 p90 -155.8 160.99 30.4 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.812 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.76 102.63 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.694 2.263 . . . . 0.0 112.211 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.4 24.28 5.7 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.561 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.96 148.5 31.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.628 HG23 ' HD1' ' A' ' 34' ' ' PHE . 15.0 tt -98.39 -30.89 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.628 ' HD1' HG23 ' A' ' 33' ' ' ILE . 3.4 m-85 -109.33 154.26 22.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.947 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.88 -153.78 6.19 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 37' ' ' CYS . 2.8 m -131.79 167.69 19.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.406 ' H ' HG22 ' A' ' 36' ' ' THR . 30.1 t -97.52 132.06 43.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.5 m -129.96 163.92 25.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.454 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 18.2 ptt180 -79.46 155.4 28.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.509 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 40.8 mtp85 -77.06 148.65 36.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.96 170.9 7.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.6 p90 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.913 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.871 0.367 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.716 ' O ' HG23 ' A' ' 3' ' ' THR . 7.8 tp -154.71 129.85 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 2' ' ' ILE . 0.7 OUTLIER -172.06 -39.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.2 p -102.08 167.72 9.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.016 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 19' ' ' CYS . 8.5 mt -61.98 121.8 13.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.409 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 7.1 t80 -99.98 170.61 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.724 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.437 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -58.96 148.58 30.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.25 26.81 71.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.408 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.96 168.37 9.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.874 0.369 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 -95.29 129.42 42.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.809 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.0 p -148.46 137.67 21.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.816 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.483 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -103.44 173.67 6.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.604 HG23 ' CG ' ' A' ' 14' ' ' TYR . 34.3 m -69.21 -44.53 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.432 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.604 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.1 m-85 -90.53 21.36 3.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.752 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.49 -179.82 0.69 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.837 0.351 . . . . 0.0 110.869 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.37 -125.47 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.41 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.75 162.44 13.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.728 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.4 m -69.99 -179.98 2.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 1.7 m -69.93 -176.47 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.0 m -65.59 177.61 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.53 120.44 11.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.26 19.61 62.19 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.647 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 7' ' ' ARG . 72.5 m-85 -140.07 148.21 41.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.75 0.309 . . . . 0.0 110.687 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.431 ' CE1' ' HA ' ' A' ' 40' ' ' ARG . 2.1 p90 -142.81 174.96 10.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.023 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.1 t -98.19 135.72 39.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.409 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 8.5 mmm180 -119.38 131.83 55.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -69.91 161.44 29.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.432 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 1.8 m-20 -75.52 -57.28 3.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.432 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 8.0 p90 -156.29 162.76 26.84 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -49.95 100.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.476 2.117 . . . . 0.0 112.335 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.73 25.22 4.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.465 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -101.04 167.21 10.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.937 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.501 HG23 ' N ' ' A' ' 34' ' ' PHE . 18.2 tt -112.75 -46.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.501 ' N ' HG23 ' A' ' 33' ' ' ILE . 3.6 m-30 -103.67 159.7 15.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.862 0.363 . . . . 0.0 110.807 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.12 -161.96 10.21 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.562 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.1 m -128.19 150.34 50.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.8 t -79.67 128.01 32.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.06 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.1 m -129.98 157.09 43.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.434 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -70.35 130.8 42.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.431 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 4.7 ttm180 -71.94 93.09 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -119.09 178.67 4.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.964 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.822 0.344 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 pt -133.65 40.85 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.06 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.9 t -99.47 149.67 22.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.6 p -97.61 159.44 14.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.423 HD13 ' HB3' ' A' ' 11' ' ' CYS . 18.1 mt -62.74 122.57 16.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.437 ' CE2' ' HG3' ' A' ' 7' ' ' ARG . 48.7 t80 -97.25 157.04 16.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.783 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.469 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -52.86 135.45 36.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.144 179.869 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.05 -21.28 25.12 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.05 171.72 9.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 111.014 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -105.9 150.9 25.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.423 ' HB3' HD13 ' A' ' 5' ' ' LEU . 21.7 p -144.6 142.63 30.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.714 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.503 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.84 168.56 9.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.024 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.572 HG23 ' CG ' ' A' ' 14' ' ' TYR . 22.8 m -63.2 -46.75 95.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.544 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.572 ' CG ' HG23 ' A' ' 13' ' ' VAL . 10.1 m-85 -90.61 21.07 4.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.836 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.457 ' HB3' ' HG2' ' A' ' 12' ' ' ARG . 1.9 p -60.58 169.12 1.89 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.789 0.328 . . . . 0.0 110.834 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.23 -123.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.121 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.9 mtm-85 -60.72 156.38 17.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.751 0.31 . . . . 0.0 110.7 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.5 m -69.81 178.09 2.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.86 -179.67 1.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 68.6 m -64.77 165.81 9.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.866 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -59.24 122.71 14.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.18 -17.18 58.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.656 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CE2' ' HB3' ' A' ' 7' ' ' ARG . 19.4 m-85 -118.78 143.57 46.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -128.6 173.71 10.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.9 t -91.04 152.68 20.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -139.34 138.97 37.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.33 164.6 18.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.432 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 57.7 m-20 -78.03 -53.81 6.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.014 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.432 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 5.2 p90 -155.84 160.77 30.56 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.88 99.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.7 2.267 . . . . 0.0 112.186 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.15 23.93 4.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.611 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.6 p -102.18 162.85 12.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.846 0.355 . . . . 0.0 110.821 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.441 ' O ' HG22 ' A' ' 13' ' ' VAL . 19.3 tt -108.76 -44.46 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.06 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.503 ' CD1' ' HB3' ' A' ' 12' ' ' ARG . 3.3 m-85 -105.51 153.84 21.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.896 0.379 . . . . 0.0 111.083 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.83 -144.96 4.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -145.93 157.55 43.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.0 t -83.07 135.73 34.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.3 m -129.97 162.75 27.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.782 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.469 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -79.68 137.12 36.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.881 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.5 ttm-85 -71.43 -60.49 2.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.797 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -161.16 126.2 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.808 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 37.0 p90 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.169 -0.92 . . . . 0.0 111.012 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.98 0.419 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.2 mm -114.55 68.83 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.5 p -145.45 175.51 10.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.8 p -130.25 -179.78 5.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 19' ' ' CYS . 11.4 mt -89.62 110.47 21.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -95.98 167.6 11.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.696 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.5 134.08 55.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.62 -15.51 52.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.585 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.94 163.83 14.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.875 0.369 . . . . 0.0 111.065 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -93.02 144.06 25.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.099 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.1 p -153.77 137.24 15.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.557 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.402 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -102.88 162.96 12.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.382 . . . . 0.0 111.053 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.557 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.7 m -55.33 -46.37 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.469 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.557 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.8 m-85 -90.53 20.76 4.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.812 -179.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.2 p -60.91 172.14 1.04 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.721 0.296 . . . . 0.0 110.775 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.93 -125.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.31 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -64.31 167.37 6.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.786 0.326 . . . . 0.0 110.771 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.1 m -70.0 179.98 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.802 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.407 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 1.7 m -70.02 -176.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.2 m -64.02 -177.67 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.68 111.4 4.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.96 18.4 37.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.682 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.449 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 38.9 m-85 -139.99 154.61 47.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.789 0.328 . . . . 0.0 110.825 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.437 ' CE2' ' HG2' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -137.36 -178.24 5.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.107 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.7 t -110.15 108.24 18.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 65.9 mtp85 -101.04 128.67 46.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -70.07 159.25 34.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.37 -72.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -142.08 163.27 41.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -48.28 101.71 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.561 2.174 . . . . 0.0 112.404 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.26 26.05 3.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.572 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 m -110.01 163.9 13.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.803 0.335 . . . . 0.0 110.807 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.624 HG23 ' HD1' ' A' ' 34' ' ' PHE . 10.3 tt -113.09 -30.92 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.168 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.624 ' HD1' HG23 ' A' ' 33' ' ' ILE . 5.2 m-85 -115.94 149.53 38.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.839 0.352 . . . . 0.0 111.018 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.99 -168.25 15.01 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.405 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -117.41 151.35 37.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.35 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.6 t -80.54 129.97 34.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.7 m -130.05 161.73 30.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.449 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -72.43 155.2 40.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.437 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -82.4 85.76 6.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.9 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -116.77 -175.42 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.862 0.363 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.5 ' O ' HD12 ' A' ' 2' ' ' ILE . 2.3 pp -143.44 130.07 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.5 p -130.4 78.18 1.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.5 p -106.34 -179.11 3.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.57 HD13 ' HB3' ' A' ' 11' ' ' CYS . 10.0 mt -80.62 107.25 13.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.408 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 10.1 t80 -91.37 169.3 10.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.408 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -57.69 130.88 48.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.941 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.45 26.53 9.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.483 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.53 156.06 41.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.819 0.342 . . . . 0.0 111.056 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.34 135.09 33.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.57 ' HB3' HD13 ' A' ' 5' ' ' LEU . 16.6 p -145.76 134.0 21.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.725 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.99 169.32 9.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.03 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.602 HG23 ' CG ' ' A' ' 14' ' ' TYR . 34.2 m -63.67 -44.18 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.349 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.602 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.0 m-85 -90.57 22.16 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.702 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.58 -175.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.809 0.337 . . . . 0.0 110.767 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.53 -126.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.383 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 179.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.336 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.6 m -83.41 -179.47 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 1.8 m -69.93 173.05 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.6 m -60.12 166.16 3.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.812 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.404 ' O ' ' CD2' ' A' ' 21' ' ' PHE . 49.7 p90 -59.89 116.07 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.75 7.12 59.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.677 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.475 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 3.0 m-85 -132.93 141.65 48.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.753 0.311 . . . . 0.0 110.694 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.448 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -119.17 170.28 9.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.058 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.0 t -115.71 107.2 14.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.782 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.54 138.4 37.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 ptp85 -74.38 -176.66 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.755 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -85.71 -68.4 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -140.62 161.25 55.57 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.776 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.85 96.22 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.718 2.279 . . . . 0.0 112.16 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.65 24.69 3.33 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.641 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.9 t -97.75 168.52 10.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.73 0.3 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.662 HG23 ' HD1' ' A' ' 34' ' ' PHE . 15.9 tt -116.89 -30.4 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.405 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.662 ' HD1' HG23 ' A' ' 33' ' ' ILE . 8.6 m-85 -123.29 152.73 41.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.907 0.384 . . . . 0.0 111.067 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.02 -148.36 4.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.386 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 37' ' ' CYS . 1.3 m -137.65 169.98 16.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.763 0.316 . . . . 0.0 110.986 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.436 ' H ' HG22 ' A' ' 36' ' ' THR . 34.0 t -107.37 128.97 54.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.7 m -130.07 150.3 51.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.475 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -69.5 156.18 39.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.448 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -85.25 115.71 23.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -81.99 142.4 32.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.811 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.2 t80 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.864 0.364 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.525 ' H ' HD12 ' A' ' 2' ' ' ILE . 3.9 mp -86.09 138.53 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.37 167.33 13.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.2 p -101.72 171.78 7.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.682 HD13 ' HB3' ' A' ' 11' ' ' CYS . 55.5 mt -77.94 122.78 25.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -102.2 173.03 6.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.97 134.48 55.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.77 24.44 49.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.425 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.11 172.76 6.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.8 122.16 43.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.682 ' HB3' HD13 ' A' ' 5' ' ' LEU . 7.5 p -146.27 143.89 29.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.622 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.431 ' HD3' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -109.14 167.04 10.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.937 0.399 . . . . 0.0 111.137 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.548 HG23 ' CG ' ' A' ' 14' ' ' TYR . 15.6 m -56.76 -48.28 81.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.58 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.548 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.4 m-85 -90.69 23.79 2.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.872 -178.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -62.22 171.74 1.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.763 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.7 -126.03 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.283 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.85 162.46 8.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.745 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 m -69.93 176.4 3.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.03 -176.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.816 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.2 m -59.26 165.82 2.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -59.71 122.19 13.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.4 -19.91 52.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.589 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.441 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 3.8 m-85 -107.13 161.59 14.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.765 0.317 . . . . 0.0 110.819 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.445 ' CE2' ' HG3' ' A' ' 26' ' ' ARG . 1.4 p90 -147.71 173.78 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.9 t -106.29 148.16 28.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.007 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.445 ' HG3' ' CE2' ' A' ' 24' ' ' TYR . 30.9 mtp85 -140.02 140.75 36.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -77.38 172.46 13.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.779 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.06 -71.63 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -143.63 162.68 40.47 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -44.22 105.48 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.636 2.224 . . . . 0.0 112.546 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.97 27.47 4.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.428 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 p -109.99 160.48 16.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 110.943 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.671 HG23 ' HD1' ' A' ' 34' ' ' PHE . 15.2 tt -116.94 -30.66 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.671 ' HD1' HG23 ' A' ' 33' ' ' ILE . 5.9 m-85 -117.89 149.48 40.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.0 -152.72 5.86 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.539 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.21 166.12 18.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.337 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 45.5 t -101.07 126.87 47.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -130.04 176.07 8.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.441 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -89.95 138.68 31.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 32.0 mtt180 -60.02 -48.33 82.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -151.52 164.56 36.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.939 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 12.0 p90 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.676 0.274 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.458 HD13 ' H ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -59.94 -29.1 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.242 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.8 p -154.66 -45.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.067 0.46 . . . . 0.0 111.052 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.7 p -94.1 174.81 6.97 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.842 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.458 HD13 ' HB3' ' A' ' 11' ' ' CYS . 78.0 mt -87.8 120.22 28.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -100.51 169.35 9.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 128.5 31.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.81 26.55 16.6 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.449 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.407 ' O ' HG23 ' A' ' 36' ' ' THR . . . -114.99 167.81 10.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.828 0.346 . . . . 0.0 111.089 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -92.32 126.13 37.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.458 ' HB3' HD13 ' A' ' 5' ' ' LEU . 25.8 p -149.82 139.57 21.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.406 ' HD3' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -109.14 169.81 8.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.957 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.498 HG23 ' CG ' ' A' ' 14' ' ' TYR . 11.7 m -59.31 -50.96 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.521 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.498 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.6 m-85 -90.8 28.16 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.89 -179.02 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.2 p -65.8 175.81 1.8 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.33 . . . . 0.0 110.893 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.0 -124.51 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.397 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -60.12 157.0 13.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.363 . . . . 0.0 110.788 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.3 m -70.02 178.57 2.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.97 -176.4 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.0 m -63.92 -179.62 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.802 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -73.61 106.93 5.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.04 -1.22 29.98 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.854 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.419 ' CE2' ' HG2' ' A' ' 39' ' ' ARG . 3.6 m-85 -131.56 152.01 51.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.827 0.346 . . . . 0.0 110.783 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -132.91 -178.17 4.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.987 179.725 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.0 t -106.01 118.99 38.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -107.12 140.33 40.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -76.2 151.81 36.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.415 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 33.4 m-20 -59.87 -62.51 1.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.415 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 7.3 p90 -149.67 162.77 27.34 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -49.93 99.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.624 2.216 . . . . 0.0 112.411 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.93 26.85 3.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 m -108.29 159.58 16.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.652 HG23 ' HD1' ' A' ' 34' ' ' PHE . 14.8 tt -109.32 -30.23 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.038 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.652 ' HD1' HG23 ' A' ' 33' ' ' ILE . 5.7 m-85 -117.8 151.02 38.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.908 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.97 -150.18 5.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 9' ' ' ALA . 0.2 OUTLIER -136.28 158.23 44.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.909 0.385 . . . . 0.0 110.942 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.6 t -84.9 131.25 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.8 m -129.99 172.68 11.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.419 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 7.8 mtm-85 -69.28 153.52 43.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.441 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -92.32 -52.73 4.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -81.5 161.69 23.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.901 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.837 0.351 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mp -101.57 -54.72 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.057 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.38 -174.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.6 p -104.86 177.78 4.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 11' ' ' CYS . 6.1 mt -60.55 103.13 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -95.42 170.8 9.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.4 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -55.65 127.48 30.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.35 27.2 25.9 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.465 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.01 160.76 17.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 111.091 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.5 mtt180 -89.9 115.6 27.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.44 ' HB3' HD22 ' A' ' 5' ' ' LEU . 27.8 p -133.48 134.14 43.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.65 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.473 ' CB ' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.06 161.07 13.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.154 -179.767 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.497 HG23 ' CG ' ' A' ' 14' ' ' TYR . 11.4 m -52.97 -50.11 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.646 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.497 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.8 m-85 -90.72 25.92 2.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.747 -179.085 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 p -63.16 172.84 1.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.845 0.355 . . . . 0.0 110.866 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.9 -125.98 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -63.68 167.5 5.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.813 0.339 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 m -70.03 178.21 2.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.02 178.2 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 82.2 m -66.04 169.63 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -61.98 116.15 4.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.13 20.0 34.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.61 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.468 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 96.7 m-85 -140.08 152.67 46.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.419 ' CD1' ' HG3' ' A' ' 26' ' ' ARG . 13.5 p90 -131.64 165.18 24.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.0 t -118.54 117.83 30.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.419 ' HG3' ' CD1' ' A' ' 24' ' ' TYR . 85.5 mtt180 -120.72 144.9 48.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -77.07 -178.99 5.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -77.79 -50.5 12.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -160.01 160.65 26.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.767 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.02 95.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.62 2.213 . . . . 0.0 112.073 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.08 -21.09 3.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.577 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.97 175.61 4.31 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.746 0.307 . . . . 0.0 110.8 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.499 HG23 ' N ' ' A' ' 34' ' ' PHE . 19.8 tt -120.03 -46.72 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.368 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.499 ' N ' HG23 ' A' ' 33' ' ' ILE . 3.8 m-30 -102.68 153.82 19.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.8 0.333 . . . . 0.0 110.968 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.0 -154.22 6.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.526 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.5 m -132.84 153.32 51.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.812 0.339 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.1 t -92.67 129.0 38.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.032 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -130.12 151.28 50.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.468 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -63.53 149.06 47.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.51 164.54 24.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -91.54 94.95 9.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.891 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.43 ' HE1' ' HB2' ' A' ' 9' ' ' ALA . 15.9 m-85 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.812 0.339 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.494 HG23 ' N ' ' A' ' 3' ' ' THR . 3.9 tp -122.75 -44.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.494 ' N ' HG23 ' A' ' 2' ' ' ILE . 3.0 p -135.09 -44.4 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.066 0.46 . . . . 0.0 111.084 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.6 p -116.4 170.5 8.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.843 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 11' ' ' CYS . 21.7 mt -93.93 131.52 39.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -98.29 167.47 10.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.804 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.454 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -56.94 141.56 44.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.54 23.1 60.97 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.419 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.43 ' HB2' ' HE1' ' A' ' 1' ' ' TYR . . . -108.9 167.94 9.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 111.019 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -100.64 122.46 43.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.012 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.529 ' HB3' HD13 ' A' ' 5' ' ' LEU . 23.6 p -135.79 143.13 45.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.756 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.435 ' HD2' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -108.62 171.72 7.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.974 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.561 HG23 ' CG ' ' A' ' 14' ' ' TYR . 21.5 m -68.85 -42.4 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.461 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.561 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.5 m-85 -90.29 19.11 5.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.659 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -177.97 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.881 0.372 . . . . 0.0 110.737 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.51 -125.0 0.87 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.453 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.6 167.1 2.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.751 0.31 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 m -77.19 -178.41 5.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.031 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.9 m -69.92 -178.77 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.9 m -61.33 168.07 2.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.804 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' A' ' 21' ' ' PHE . 26.9 p90 -58.98 121.86 12.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.871 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.17 -18.36 57.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.651 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 41.5 m-85 -114.84 154.18 29.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.859 0.361 . . . . 0.0 110.959 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CE1' ' HA ' ' A' ' 40' ' ' ARG . 2.8 p90 -139.92 171.8 13.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.9 t -95.26 142.13 28.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.403 ' HD2' ' CZ ' ' A' ' 24' ' ' TYR . 14.3 mtp-105 -129.89 125.32 35.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -77.44 153.08 33.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -60.24 -69.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -147.15 162.51 32.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.15 102.87 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.49 2.127 . . . . 0.0 112.354 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.7 28.31 3.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.842 -0.695 . . . . 0.0 112.478 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.98 165.39 11.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 0.0 111.004 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.532 HG23 ' HD1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -112.29 -32.98 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.532 ' HD1' HG23 ' A' ' 33' ' ' ILE . 18.9 m-85 -133.79 148.62 51.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.854 0.359 . . . . 0.0 110.976 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.62 -150.66 5.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.55 156.91 46.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 38.1 t -93.91 132.65 38.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.1 m -130.06 171.3 12.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -78.47 138.7 38.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.989 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.441 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 16.6 ttt180 -70.06 90.66 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -151.17 108.81 3.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.97 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.85 179.934 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.841 0.353 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.5 HG23 ' N ' ' A' ' 3' ' ' THR . 0.9 OUTLIER -143.54 -45.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.5 ' N ' HG23 ' A' ' 2' ' ' ILE . 58.8 m -60.37 87.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.5 p -109.05 177.06 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 11' ' ' CYS . 63.3 mt -93.65 103.16 15.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.01 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -89.97 178.49 6.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.746 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.25 134.41 44.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.02 24.53 48.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.42 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.95 159.14 17.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.4 mtp85 -97.66 130.42 44.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.552 ' HB3' HD13 ' A' ' 5' ' ' LEU . 30.9 p -144.15 167.94 21.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.697 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -130.4 164.02 25.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.968 0.413 . . . . 0.0 111.084 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.555 HG23 ' CG ' ' A' ' 14' ' ' TYR . 15.5 m -58.24 -47.91 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.633 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.555 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.8 m-85 -90.6 24.48 2.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.934 -178.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.402 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 1.4 t -69.16 174.69 4.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.767 0.318 . . . . 0.0 110.821 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.61 -125.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.332 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -67.61 -178.19 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.784 0.326 . . . . 0.0 110.787 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.2 m -81.29 -179.09 7.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.92 -176.23 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.8 m -58.01 -176.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.71 115.07 9.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.94 5.41 58.45 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.961 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.451 ' CE2' ' CG ' ' A' ' 39' ' ' ARG . 7.0 m-85 -135.93 150.61 49.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.759 0.314 . . . . 0.0 110.795 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.493 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -129.67 -178.59 4.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.9 179.738 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.1 t -107.06 134.32 50.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.7 162.26 24.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -104.91 159.11 16.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.57 -70.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -142.95 162.57 42.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.97 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -51.56 109.01 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.547 2.164 . . . . 0.0 112.396 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.17 24.59 5.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.599 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 p -110.0 165.45 11.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.67 HG23 ' HD1' ' A' ' 34' ' ' PHE . 15.1 tt -113.2 -29.79 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.67 ' HD1' HG23 ' A' ' 33' ' ' ILE . 7.2 m-85 -121.86 151.67 40.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.774 179.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.04 -148.06 4.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.635 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.0 m -131.63 164.19 26.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.7 t -87.64 137.89 31.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.7 m -130.1 154.13 47.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.451 ' CG ' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -69.94 157.45 37.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 25.0 ttp180 -97.04 53.04 1.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -124.31 77.45 1.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.4 p90 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.941 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 54.8 p90 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.798 0.332 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.6 tp -87.55 139.19 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.1 p -110.97 -23.72 10.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.272 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p -147.5 -177.55 5.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.851 HD13 ' HB3' ' A' ' 11' ' ' CYS . 16.9 mt -114.22 122.87 48.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -100.48 178.25 4.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.71 128.26 31.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.77 28.09 24.87 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.47 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.59 157.58 20.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.098 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.92 123.54 33.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.776 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.851 ' HB3' HD13 ' A' ' 5' ' ' LEU . 22.5 p -151.52 134.17 15.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.994 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.486 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.88 175.4 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 179.811 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.554 HG23 ' H ' ' A' ' 14' ' ' TYR . 3.1 m -56.67 -56.35 14.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.469 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.554 ' H ' HG23 ' A' ' 13' ' ' VAL . 4.8 m-85 -90.86 24.57 2.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.798 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.401 ' HB3' ' HG3' ' A' ' 12' ' ' ARG . 6.0 p -55.53 163.71 1.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.819 0.343 . . . . 0.0 111.102 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.76 -122.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.316 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.28 143.45 39.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.764 0.316 . . . . 0.0 110.842 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 m -70.01 178.76 2.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.7 m -70.0 170.76 10.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.761 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.0 m -61.76 164.87 5.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -60.57 126.51 27.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.23 -9.22 65.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.748 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.465 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 5.2 m-85 -119.72 163.34 17.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.773 0.32 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.417 ' CE1' ' HA ' ' A' ' 40' ' ' ARG . 2.1 p90 -143.65 152.67 41.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.3 t -91.79 149.56 21.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.402 ' HD2' ' CE2' ' A' ' 24' ' ' TYR . 74.0 mtp180 -136.41 148.76 47.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -85.72 164.0 17.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -65.61 -72.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.404 ' HB2' ' HD2' ' A' ' 30' ' ' PRO . 4.6 p90 -135.92 161.4 62.88 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.78 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 29' ' ' PHE . 9.2 Cg_endo -50.5 92.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.74 2.293 . . . . 0.0 112.115 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.9 27.86 2.86 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.466 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.9 t -96.9 178.24 5.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.789 0.328 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.566 HG23 ' HD1' ' A' ' 34' ' ' PHE . 2.3 tp -117.46 -33.3 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.303 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.566 ' HD1' HG23 ' A' ' 33' ' ' ILE . 16.9 m-85 -131.11 152.49 50.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.917 0.389 . . . . 0.0 111.202 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.05 -150.52 5.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.424 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.5 m -132.46 164.24 27.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.758 0.313 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.1 t -102.93 137.41 41.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.8 m -129.98 160.35 33.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.465 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 13.1 ptm180 -75.08 133.9 41.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.417 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 1.9 ttt-85 -62.92 108.74 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -126.24 36.85 4.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' A' ' 11' ' ' CYS . 6.6 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.738 0.304 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -96.98 167.21 11.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.721 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.452 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -53.8 128.33 29.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.078 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.03 27.75 7.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.413 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.23 161.88 31.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 111.045 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.11 148.67 21.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.477 ' HB3' HD13 ' A' ' 5' ' ' LEU . 28.4 p -160.05 131.07 5.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.773 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.411 ' HG2' ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -100.03 166.17 11.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.948 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.507 HG23 ' CG ' ' A' ' 14' ' ' TYR . 11.6 m -55.55 -50.94 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.573 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.507 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.4 m-85 -90.76 26.36 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.757 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.411 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 27.6 p -65.67 177.78 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.25 -122.95 0.13 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -55.97 148.33 17.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.857 0.36 . . . . 0.0 110.961 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.5 m -69.92 177.92 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.421 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 1.8 m -69.94 172.1 8.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.2 m -67.07 178.62 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -65.01 131.62 47.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.84 13.77 82.78 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.786 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.472 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 42.2 m-85 -140.08 130.9 25.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.735 0.303 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.465 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -115.16 -178.78 3.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.922 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.7 t -118.63 115.51 24.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.65 160.52 14.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -82.62 176.7 9.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.037 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.442 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 72.2 m-20 -90.03 -50.27 6.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.952 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.442 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 5.2 p90 -159.47 160.39 28.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.59 98.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.686 2.258 . . . . 0.0 112.132 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.31 25.48 3.78 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.99 165.28 11.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.706 0.288 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.619 HG23 ' HD1' ' A' ' 34' ' ' PHE . 14.5 tt -113.78 -31.03 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.201 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.619 ' HD1' HG23 ' A' ' 33' ' ' ILE . 3.7 m-85 -110.42 155.99 21.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.884 0.373 . . . . 0.0 111.02 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.09 -145.35 4.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.47 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -150.06 159.64 44.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.739 0.305 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.4 t -84.92 133.67 34.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.6 m -130.01 157.51 42.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.472 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 2.3 ptm180 -72.4 142.52 48.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.465 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 22.7 mtp180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.782 HD13 ' HB3' ' A' ' 11' ' ' CYS . 25.0 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.437 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 2.4 t80 -106.08 173.97 6.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.444 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -52.74 134.74 36.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.15 28.18 56.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.04 152.69 23.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 111.03 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -90.03 119.28 30.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.782 ' HB3' HD13 ' A' ' 5' ' ' LEU . 26.5 p -138.98 137.04 36.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -101.22 166.66 10.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.023 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.55 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.1 m -56.47 -47.23 82.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.439 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.55 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.7 m-85 -90.7 21.26 4.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.788 -179.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.6 p -60.97 176.82 0.37 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.825 0.345 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.96 -125.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.261 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.15 163.85 16.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.815 0.34 . . . . 0.0 110.668 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.6 m -69.96 176.33 3.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.94 179.12 2.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 91.9 m -64.28 171.26 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -60.78 120.49 10.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.81 17.21 56.95 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.649 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.45 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 46.7 m-85 -140.1 134.88 31.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.703 0.287 . . . . 0.0 110.782 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.449 ' CD1' ' HG2' ' A' ' 26' ' ' ARG . 2.3 p90 -112.37 -177.08 3.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.079 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.1 t -128.76 106.86 9.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.738 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.449 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 6.3 mmm180 -105.66 138.55 41.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.957 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -72.34 176.94 4.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -69.87 -64.59 0.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -149.79 162.53 27.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.773 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -47.22 97.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.512 2.141 . . . . 0.0 112.393 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.31 27.14 2.97 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.475 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -108.08 166.34 10.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 110.829 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.668 HG23 ' HD1' ' A' ' 34' ' ' PHE . 16.0 tt -114.18 -30.44 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.278 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.668 ' HD1' HG23 ' A' ' 33' ' ' ILE . 6.1 m-85 -118.43 151.5 37.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 111.025 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.03 -152.73 5.86 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.452 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 37' ' ' CYS . 15.2 m -134.09 163.87 28.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 0.0 110.981 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.422 ' N ' HG22 ' A' ' 36' ' ' THR . 28.1 t -98.29 126.28 43.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.6 m -130.05 154.36 47.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.45 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -64.06 155.43 31.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.431 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.535 HD13 ' HB3' ' A' ' 11' ' ' CYS . 15.3 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.773 0.32 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.425 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 17.3 t80 -97.18 166.49 11.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.431 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -56.76 139.71 49.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.978 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.38 26.53 65.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.437 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.28 173.49 6.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 111.079 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.5 mtt85 -103.33 116.86 33.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.535 ' HB3' HD13 ' A' ' 5' ' ' LEU . 29.0 p -136.86 158.96 43.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.458 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -121.03 163.66 17.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.106 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.561 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.0 m -57.89 -47.74 85.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.481 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.561 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.7 m-85 -90.6 23.37 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.789 -178.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.5 t -64.54 175.56 1.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.815 0.341 . . . . 0.0 110.871 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.21 -125.8 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.352 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.15 170.49 9.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.842 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.5 m -70.11 177.29 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.92 -175.34 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.725 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.5 m -56.21 178.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.58 109.73 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.97 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.36 -18.45 41.79 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.851 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 94.5 m-85 -106.7 160.87 15.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.866 0.365 . . . . 0.0 111.031 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.434 ' CE2' ' HG2' ' A' ' 26' ' ' ARG . 2.0 p90 -144.95 174.24 11.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.851 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.3 t -93.67 141.36 28.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.434 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -131.65 145.17 51.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -93.82 152.95 18.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.437 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 8.3 m-20 -61.98 -59.22 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.031 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 3.9 p90 -149.28 161.14 33.02 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.745 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.19 102.27 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.648 2.232 . . . . 0.0 112.125 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.73 26.89 3.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.487 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.0 t -108.81 164.26 12.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 0.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.665 HG23 ' HD1' ' A' ' 34' ' ' PHE . 12.4 tt -113.14 -30.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.665 ' HD1' HG23 ' A' ' 33' ' ' ILE . 21.6 m-85 -127.03 142.95 51.42 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.906 0.384 . . . . 0.0 110.956 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.77 -147.08 4.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.436 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 m -126.53 160.0 31.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 50.9 t -95.01 132.12 40.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.0 m -130.06 167.18 18.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.44 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 6.2 ppt_? -76.62 130.7 38.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.43 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 19' ' ' CYS . 3.3 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.803 0.335 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -93.82 175.01 6.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.48 142.84 51.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.78 27.59 64.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.373 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.2 167.32 10.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.838 0.352 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -91.18 123.25 34.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -150.19 132.19 15.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.411 ' HD2' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.9 169.88 8.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.003 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.654 HG12 ' HE ' ' A' ' 27' ' ' ARG . 8.6 m -55.99 -52.8 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.549 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.491 ' N ' HG23 ' A' ' 13' ' ' VAL . 5.1 m-85 -90.88 28.8 1.47 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.627 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.6 p -63.75 162.29 13.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.46 -123.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -55.9 149.07 15.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 m -69.87 179.45 2.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 9.3 m -69.98 175.98 4.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.8 m -59.26 176.8 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.79 117.49 6.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.965 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.0 20.03 54.37 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.668 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 9.6 m-85 -132.1 141.7 49.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.699 0.285 . . . . 0.0 110.736 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.498 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 1.4 p90 -122.96 163.06 21.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.86 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.6 t -104.43 113.75 27.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.987 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.47 150.34 23.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.654 ' HE ' HG12 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -78.02 176.86 8.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.43 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 35.1 m-20 -83.04 -64.38 1.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.43 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 7.1 p90 -148.89 162.61 28.82 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.74 100.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.608 2.205 . . . . 0.0 112.29 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.27 26.34 4.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.51 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 m -110.08 161.55 15.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.618 HG23 ' HD1' ' A' ' 34' ' ' PHE . 13.6 tt -110.89 -30.8 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.053 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.618 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.0 m-85 -111.67 152.42 27.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.942 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.97 -150.77 5.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.559 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.85 168.38 17.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.7 t -100.38 132.53 45.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.4 m -130.07 161.17 31.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.469 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -82.73 142.21 31.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.727 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.498 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 9.3 ttt-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.69 HD13 ' HB3' ' A' ' 11' ' ' CYS . 51.8 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -99.33 174.65 6.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.68 130.73 46.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.002 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.96 26.19 15.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.425 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.6 147.08 49.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 111.079 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -90.0 142.03 28.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.69 ' HB3' HD13 ' A' ' 5' ' ' LEU . 25.5 p -146.91 142.41 27.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.749 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.451 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.96 174.38 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.0 0.429 . . . . 0.0 111.055 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.564 HG23 ' CG ' ' A' ' 14' ' ' TYR . 24.9 m -69.4 -43.32 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.481 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.564 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.7 m-85 -90.33 19.45 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.787 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -179.38 0.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 110.762 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.41 -125.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.41 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -75.26 174.68 9.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.785 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.6 m -70.01 -179.91 2.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.799 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.94 -176.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.3 m -65.78 -177.73 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -60.46 126.09 26.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.04 20.07 77.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.592 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.46 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 87.3 m-85 -136.27 138.45 41.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.722 0.296 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.493 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.2 OUTLIER -126.07 168.08 14.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.909 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.9 t -105.14 117.09 33.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -113.59 145.89 40.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -79.69 -178.44 6.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.434 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 24.5 m-20 -89.74 -44.29 10.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.434 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 2.1 p90 -160.04 162.07 24.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.789 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.86 96.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.579 2.186 . . . . 0.0 112.093 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.34 25.73 3.4 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.53 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 t -99.71 164.48 12.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.817 0.341 . . . . 0.0 110.829 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.661 HG23 ' HD1' ' A' ' 34' ' ' PHE . 16.8 tt -114.55 -30.15 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.246 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.661 ' HD1' HG23 ' A' ' 33' ' ' ILE . 8.5 m-85 -123.84 149.18 46.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.851 0.358 . . . . 0.0 111.088 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -147.88 -145.2 4.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.396 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.498 HG22 ' H ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -136.41 -177.71 4.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.88 0.371 . . . . 0.0 111.033 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.498 ' H ' HG22 ' A' ' 36' ' ' THR . 37.0 t -115.66 128.55 55.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.2 m -130.13 157.37 42.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.46 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 14.0 ptt-85 -73.29 154.52 40.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 6.8 mtp85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.977 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.559 HD13 ' HB3' ' A' ' 11' ' ' CYS . 80.1 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.811 0.339 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.413 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 2.9 t80 -90.08 175.74 7.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.413 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -57.27 142.94 41.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.984 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.75 26.01 70.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.425 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.74 166.21 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -95.95 125.86 40.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.559 ' HB3' HD13 ' A' ' 5' ' ' LEU . 18.2 p -146.79 170.28 17.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.439 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -133.2 171.27 14.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.856 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.519 HG23 ' CG ' ' A' ' 14' ' ' TYR . 14.2 m -62.4 -51.28 74.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.514 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.519 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.6 m-85 -90.77 23.6 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.939 -179.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.96 168.04 2.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.885 0.374 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.41 -125.14 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.325 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 160.97 9.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.778 0.323 . . . . 0.0 110.681 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.2 m -69.93 -179.5 1.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.02 -176.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.714 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.502 ' HG ' ' N ' ' A' ' 5' ' ' LEU . 72.6 m -59.87 176.04 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.762 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.1 116.61 6.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.827 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.33 6.14 66.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.772 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 9.2 m-85 -129.95 150.31 51.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.835 0.35 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.432 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -134.46 176.13 8.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.022 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.5 t -107.98 136.55 47.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.799 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -127.41 140.83 51.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.475 ' HD2' HG12 ' A' ' 13' ' ' VAL . 4.4 mtp180 -70.08 161.74 29.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -69.85 -56.13 7.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -150.88 163.7 22.85 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -48.76 94.23 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.569 2.179 . . . . 0.0 112.4 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.93 40.56 1.17 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.363 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.5 t -110.03 165.04 12.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 111.032 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.567 HG23 ' HD1' ' A' ' 34' ' ' PHE . 1.8 tp -113.21 -32.26 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.567 ' HD1' HG23 ' A' ' 33' ' ' ILE . 16.6 m-85 -131.47 130.88 43.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.808 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.28 -151.25 7.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.538 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 37' ' ' CYS . 58.7 m -124.29 162.14 24.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 110.983 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.441 ' N ' HG22 ' A' ' 36' ' ' THR . 48.7 t -95.11 138.26 33.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.959 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.2 m -130.03 167.48 18.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.44 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -81.24 152.27 27.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.432 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.486 HD13 ' HB3' ' A' ' 11' ' ' CYS . 42.3 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.785 0.326 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.441 ' CE2' ' HG3' ' A' ' 7' ' ' ARG . 31.2 t80 -89.93 160.56 16.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.756 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.454 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -59.0 143.93 46.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.994 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.26 25.31 64.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.429 ' O ' HG23 ' A' ' 36' ' ' THR . . . -105.77 174.39 5.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 111.103 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -105.18 114.4 28.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.964 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.486 ' HB3' HD13 ' A' ' 5' ' ' LEU . 31.7 p -128.44 158.16 39.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.71 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.435 ' HB3' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -119.89 161.4 20.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.995 0.426 . . . . 0.0 111.121 -179.822 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.535 HG23 ' CG ' ' A' ' 14' ' ' TYR . 13.7 m -55.94 -48.54 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.651 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.535 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.8 m-85 -90.57 25.33 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.818 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.416 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 8.2 t -64.14 174.56 1.53 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.769 0.318 . . . . 0.0 110.798 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.79 -125.19 0.11 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.406 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -59.04 163.03 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 m -71.96 177.47 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.01 -176.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.8 m -66.47 -177.9 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -70.92 111.4 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.32 9.38 44.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.801 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 70.4 m-85 -140.1 150.9 44.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.809 0.338 . . . . 0.0 110.843 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -134.65 -178.32 5.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.042 179.779 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.5 t -108.39 118.19 36.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.981 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -114.62 140.58 48.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -82.23 157.92 23.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -63.94 -63.89 1.04 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -145.29 160.41 45.61 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.778 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.57 95.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.657 2.238 . . . . 0.0 112.073 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.19 -19.94 3.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.62 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.4 t -70.81 161.64 30.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.761 0.315 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.661 HG23 ' HD1' ' A' ' 34' ' ' PHE . 15.0 tt -109.53 -30.33 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.131 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.661 ' HD1' HG23 ' A' ' 33' ' ' ILE . 5.7 m-85 -117.76 152.7 34.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.895 0.379 . . . . 0.0 110.94 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.52 -151.1 5.37 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.545 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 9' ' ' ALA . 33.9 m -131.92 147.02 52.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.349 . . . . 0.0 111.01 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.8 t -80.23 126.44 31.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.416 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 21.0 m -130.18 153.35 48.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 4.0 ppt_? -60.42 168.32 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.975 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -89.97 174.38 7.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.73 155.55 7.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.2 23.96 76.48 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.558 ' O ' HG23 ' A' ' 36' ' ' THR . . . -118.02 179.56 4.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.768 0.318 . . . . 0.0 111.067 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -114.92 137.43 51.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -150.28 158.25 43.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.72 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.431 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -119.3 162.01 19.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.901 0.381 . . . . 0.0 111.093 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.6 HG23 ' CG ' ' A' ' 14' ' ' TYR . 34.4 m -58.11 -43.33 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.445 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.6 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.9 m-85 -90.45 21.93 3.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.786 -178.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.7 t -69.57 171.25 9.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.838 0.352 . . . . 0.0 110.749 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.13 -125.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.351 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.22 172.62 2.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.851 0.357 . . . . 0.0 110.758 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -78.29 -177.01 4.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.86 -178.61 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.701 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.5 m -57.49 -176.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.0 122.03 17.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.81 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.03 4.0 78.89 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.764 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 4.5 m-85 -131.52 145.51 51.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.675 0.274 . . . . 0.0 110.749 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.48 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -127.7 -178.42 4.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.968 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.1 t -109.89 126.2 53.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -121.62 137.02 54.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -80.85 176.69 9.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -77.02 -66.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.4 ' CE1' ' OG ' ' A' ' 32' ' ' SER . 1.8 p90 -146.33 162.6 34.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -49.3 92.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.567 2.178 . . . . 0.0 112.412 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 133.25 -11.01 5.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.755 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.4 ' OG ' ' CE1' ' A' ' 29' ' ' PHE . 74.6 m -73.03 155.98 39.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.654 HG23 ' HD1' ' A' ' 34' ' ' PHE . 15.8 tt -107.07 -28.49 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.654 ' HD1' HG23 ' A' ' 33' ' ' ILE . 10.3 m-85 -127.18 147.52 50.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.911 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.6 -148.69 4.9 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.447 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 9' ' ' ALA . 2.4 m -133.86 153.85 51.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 t -78.4 134.55 37.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 m -130.04 139.79 50.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.459 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -59.46 140.17 56.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.962 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.48 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 1.1 ttt-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.65 HD13 ' HB3' ' A' ' 11' ' ' CYS . 66.1 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.845 0.355 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.414 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 2.0 t80 -107.32 176.62 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.744 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.414 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -49.2 132.48 19.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.966 0.413 . . . . 0.0 111.11 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.85 31.19 29.98 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.454 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 36' ' ' THR . . . -114.81 164.27 14.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.89 0.376 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -100.03 126.43 46.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.65 ' HB3' HD13 ' A' ' 5' ' ' LEU . 31.8 p -149.81 138.19 20.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.731 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.462 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.91 175.36 5.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.903 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.594 HG23 ' CG ' ' A' ' 14' ' ' TYR . 27.2 m -67.65 -46.87 81.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.394 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.594 ' CG ' HG23 ' A' ' 13' ' ' VAL . 10.3 m-85 -90.87 22.89 3.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.731 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.13 179.3 0.73 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.84 0.352 . . . . 0.0 110.79 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.14 -125.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.266 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -72.82 -176.92 2.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.762 0.315 . . . . 0.0 110.772 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.7 m -79.95 177.94 8.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.01 -175.28 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.6 m -55.98 178.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -60.68 118.47 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.66 20.0 62.61 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.674 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 17.9 m-85 -133.43 141.58 47.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.78 0.324 . . . . 0.0 110.814 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.435 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -123.54 -179.0 4.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.926 179.807 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.7 t -113.08 115.72 28.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.49 131.81 52.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.986 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -83.0 -174.23 5.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.435 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 54.7 m-20 -81.1 -61.97 1.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 11.7 p90 -156.78 162.3 27.85 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.751 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 29' ' ' PHE . 84.8 Cg_exo -46.24 93.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.627 2.218 . . . . 0.0 112.436 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.78 35.28 0.85 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.483 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.39 171.91 7.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.504 HG23 ' HD1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -120.08 -35.16 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.289 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.504 ' HD1' HG23 ' A' ' 33' ' ' ILE . 14.9 m-85 -130.63 148.89 52.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.961 0.41 . . . . 0.0 111.183 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.58 -151.42 5.45 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.433 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 9' ' ' ALA . 4.2 m -131.85 154.85 48.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 36.4 t -76.82 136.51 38.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.1 m -130.04 135.98 48.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -60.0 144.88 48.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 9.6 ttt-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.03 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.728 HD13 ' HB3' ' A' ' 11' ' ' CYS . 55.6 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.806 0.336 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.444 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 7.8 t80 -90.26 167.59 12.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.758 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.444 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -49.07 135.09 16.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.192 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.49 27.03 37.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.25 154.36 29.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 111.058 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.54 127.94 37.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.728 ' HB3' HD13 ' A' ' 5' ' ' LEU . 26.7 p -142.82 140.71 31.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.762 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.444 ' HD2' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -104.3 176.0 5.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.817 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.606 HG23 ' CG ' ' A' ' 14' ' ' TYR . 32.1 m -69.35 -45.31 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.291 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.606 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.2 m-85 -90.65 21.34 4.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.724 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.59 179.27 0.64 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.753 0.311 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.38 -125.44 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.386 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 ttp85 -64.34 167.98 6.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.732 0.301 . . . . 0.0 110.827 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.8 m -76.66 178.18 6.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.07 -176.68 1.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 68.0 m -64.22 166.55 7.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.782 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -60.26 110.04 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.02 -10.68 31.81 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.86 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.454 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 25.1 m-85 -120.86 144.97 48.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.735 0.302 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.509 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.6 OUTLIER -124.28 -178.18 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.92 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 30.2 t -113.89 123.13 49.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -114.72 151.6 33.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.6 mtt85 -76.94 161.13 28.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.459 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 32.5 m-20 -77.72 -53.49 7.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 4.3 p90 -155.8 160.99 30.4 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.812 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.76 102.63 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.694 2.263 . . . . 0.0 112.211 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.4 24.28 5.7 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.561 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.96 148.5 31.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.628 HG23 ' HD1' ' A' ' 34' ' ' PHE . 15.0 tt -98.39 -30.89 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.628 ' HD1' HG23 ' A' ' 33' ' ' ILE . 3.4 m-85 -109.33 154.26 22.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.947 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.88 -153.78 6.19 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 37' ' ' CYS . 2.8 m -131.79 167.69 19.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.406 ' H ' HG22 ' A' ' 36' ' ' THR . 30.1 t -97.52 132.06 43.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.5 m -129.96 163.92 25.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.454 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 18.2 ptt180 -79.46 155.4 28.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.509 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 40.8 mtp85 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 19' ' ' CYS . 8.5 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.806 0.336 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.409 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 7.1 t80 -99.98 170.61 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.724 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.437 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -58.96 148.58 30.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.25 26.81 71.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.408 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.96 168.37 9.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.874 0.369 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 -95.29 129.42 42.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.809 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.0 p -148.46 137.67 21.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.816 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.483 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -103.44 173.67 6.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.604 HG23 ' CG ' ' A' ' 14' ' ' TYR . 34.3 m -69.21 -44.53 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.432 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.604 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.1 m-85 -90.53 21.36 3.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.752 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.49 -179.82 0.69 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.837 0.351 . . . . 0.0 110.869 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.37 -125.47 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.41 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.75 162.44 13.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.728 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.4 m -69.99 -179.98 2.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 1.7 m -69.93 -176.47 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.0 m -65.59 177.61 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.53 120.44 11.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.26 19.61 62.19 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.647 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 7' ' ' ARG . 72.5 m-85 -140.07 148.21 41.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.75 0.309 . . . . 0.0 110.687 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.431 ' CE1' ' HA ' ' A' ' 40' ' ' ARG . 2.1 p90 -142.81 174.96 10.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.023 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.1 t -98.19 135.72 39.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.409 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 8.5 mmm180 -119.38 131.83 55.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -69.91 161.44 29.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.432 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 1.8 m-20 -75.52 -57.28 3.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.432 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 8.0 p90 -156.29 162.76 26.84 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -49.95 100.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.476 2.117 . . . . 0.0 112.335 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.73 25.22 4.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.465 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -101.04 167.21 10.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.937 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.501 HG23 ' N ' ' A' ' 34' ' ' PHE . 18.2 tt -112.75 -46.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.501 ' N ' HG23 ' A' ' 33' ' ' ILE . 3.6 m-30 -103.67 159.7 15.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.862 0.363 . . . . 0.0 110.807 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.12 -161.96 10.21 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.562 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.1 m -128.19 150.34 50.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.8 t -79.67 128.01 32.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.06 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.1 m -129.98 157.09 43.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.434 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -70.35 130.8 42.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.431 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 4.7 ttm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.423 HD13 ' HB3' ' A' ' 11' ' ' CYS . 18.1 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.777 0.322 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.437 ' CE2' ' HG3' ' A' ' 7' ' ' ARG . 48.7 t80 -97.25 157.04 16.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.783 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.469 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -52.86 135.45 36.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.144 179.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.05 -21.28 25.12 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.05 171.72 9.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 111.014 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -105.9 150.9 25.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.423 ' HB3' HD13 ' A' ' 5' ' ' LEU . 21.7 p -144.6 142.63 30.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.714 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.503 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.84 168.56 9.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.024 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.572 HG23 ' CG ' ' A' ' 14' ' ' TYR . 22.8 m -63.2 -46.75 95.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.544 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.572 ' CG ' HG23 ' A' ' 13' ' ' VAL . 10.1 m-85 -90.61 21.07 4.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.836 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.457 ' HB3' ' HG2' ' A' ' 12' ' ' ARG . 1.9 p -60.58 169.12 1.89 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.789 0.328 . . . . 0.0 110.834 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.23 -123.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.121 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.9 mtm-85 -60.72 156.38 17.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.751 0.31 . . . . 0.0 110.7 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.5 m -69.81 178.09 2.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.86 -179.67 1.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 68.6 m -64.77 165.81 9.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.866 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -59.24 122.71 14.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.18 -17.18 58.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.656 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CE2' ' HB3' ' A' ' 7' ' ' ARG . 19.4 m-85 -118.78 143.57 46.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -128.6 173.71 10.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.9 t -91.04 152.68 20.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -139.34 138.97 37.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.33 164.6 18.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.432 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 57.7 m-20 -78.03 -53.81 6.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.014 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.432 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 5.2 p90 -155.84 160.77 30.56 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.88 99.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.7 2.267 . . . . 0.0 112.186 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.15 23.93 4.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.611 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.6 p -102.18 162.85 12.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.846 0.355 . . . . 0.0 110.821 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.441 ' O ' HG22 ' A' ' 13' ' ' VAL . 19.3 tt -108.76 -44.46 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.06 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.503 ' CD1' ' HB3' ' A' ' 12' ' ' ARG . 3.3 m-85 -105.51 153.84 21.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.896 0.379 . . . . 0.0 111.083 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.83 -144.96 4.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -145.93 157.55 43.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.0 t -83.07 135.73 34.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.3 m -129.97 162.75 27.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.782 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.469 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -79.68 137.12 36.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.881 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.5 ttm-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.797 179.945 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 19' ' ' CYS . 11.4 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.773 0.321 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -95.98 167.6 11.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.696 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.5 134.08 55.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.62 -15.51 52.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.585 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.94 163.83 14.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.875 0.369 . . . . 0.0 111.065 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -93.02 144.06 25.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.099 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.1 p -153.77 137.24 15.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.557 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.402 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -102.88 162.96 12.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.382 . . . . 0.0 111.053 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.557 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.7 m -55.33 -46.37 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.469 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.557 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.8 m-85 -90.53 20.76 4.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.812 -179.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.2 p -60.91 172.14 1.04 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.721 0.296 . . . . 0.0 110.775 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.93 -125.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.31 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -64.31 167.37 6.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.786 0.326 . . . . 0.0 110.771 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.1 m -70.0 179.98 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.802 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.407 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 1.7 m -70.02 -176.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.2 m -64.02 -177.67 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.68 111.4 4.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.96 18.4 37.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.682 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.449 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 38.9 m-85 -139.99 154.61 47.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.789 0.328 . . . . 0.0 110.825 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.437 ' CE2' ' HG2' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -137.36 -178.24 5.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.107 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.7 t -110.15 108.24 18.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 65.9 mtp85 -101.04 128.67 46.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -70.07 159.25 34.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.37 -72.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -142.08 163.27 41.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -48.28 101.71 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.561 2.174 . . . . 0.0 112.404 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.26 26.05 3.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.572 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 m -110.01 163.9 13.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.803 0.335 . . . . 0.0 110.807 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.624 HG23 ' HD1' ' A' ' 34' ' ' PHE . 10.3 tt -113.09 -30.92 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.168 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.624 ' HD1' HG23 ' A' ' 33' ' ' ILE . 5.2 m-85 -115.94 149.53 38.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.839 0.352 . . . . 0.0 111.018 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.99 -168.25 15.01 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.405 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -117.41 151.35 37.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.35 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.6 t -80.54 129.97 34.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.7 m -130.05 161.73 30.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.449 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -72.43 155.2 40.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.437 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.57 HD13 ' HB3' ' A' ' 11' ' ' CYS . 10.0 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.776 0.322 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.408 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 10.1 t80 -91.37 169.3 10.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.408 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -57.69 130.88 48.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.941 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.45 26.53 9.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.483 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.53 156.06 41.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.819 0.342 . . . . 0.0 111.056 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.34 135.09 33.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.57 ' HB3' HD13 ' A' ' 5' ' ' LEU . 16.6 p -145.76 134.0 21.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.725 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.99 169.32 9.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.03 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.602 HG23 ' CG ' ' A' ' 14' ' ' TYR . 34.2 m -63.67 -44.18 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.349 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.602 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.0 m-85 -90.57 22.16 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.702 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.58 -175.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.809 0.337 . . . . 0.0 110.767 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.53 -126.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.383 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 179.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.336 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.6 m -83.41 -179.47 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 1.8 m -69.93 173.05 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.426 ' HG ' ' N ' ' A' ' 5' ' ' LEU . 53.6 m -60.12 166.16 3.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.812 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.404 ' O ' ' CD2' ' A' ' 21' ' ' PHE . 49.7 p90 -59.89 116.07 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.75 7.12 59.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.677 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.475 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 3.0 m-85 -132.93 141.65 48.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.753 0.311 . . . . 0.0 110.694 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.448 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -119.17 170.28 9.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.058 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.0 t -115.71 107.2 14.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.782 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.54 138.4 37.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 ptp85 -74.38 -176.66 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.755 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -85.71 -68.4 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -140.62 161.25 55.57 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.776 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.85 96.22 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.718 2.279 . . . . 0.0 112.16 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.65 24.69 3.33 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.641 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.9 t -97.75 168.52 10.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.73 0.3 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.662 HG23 ' HD1' ' A' ' 34' ' ' PHE . 15.9 tt -116.89 -30.4 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.405 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.662 ' HD1' HG23 ' A' ' 33' ' ' ILE . 8.6 m-85 -123.29 152.73 41.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.907 0.384 . . . . 0.0 111.067 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.02 -148.36 4.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.386 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 37' ' ' CYS . 1.3 m -137.65 169.98 16.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.763 0.316 . . . . 0.0 110.986 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.436 ' H ' HG22 ' A' ' 36' ' ' THR . 34.0 t -107.37 128.97 54.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.7 m -130.07 150.3 51.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.475 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -69.5 156.18 39.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.448 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.682 HD13 ' HB3' ' A' ' 11' ' ' CYS . 55.5 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.795 0.331 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -102.2 173.03 6.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.97 134.48 55.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.77 24.44 49.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.425 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.11 172.76 6.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.8 122.16 43.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.682 ' HB3' HD13 ' A' ' 5' ' ' LEU . 7.5 p -146.27 143.89 29.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.622 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.431 ' HD3' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -109.14 167.04 10.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.937 0.399 . . . . 0.0 111.137 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.548 HG23 ' CG ' ' A' ' 14' ' ' TYR . 15.6 m -56.76 -48.28 81.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.58 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.548 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.4 m-85 -90.69 23.79 2.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.872 -178.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -62.22 171.74 1.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.763 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.7 -126.03 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.283 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.85 162.46 8.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.745 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 m -69.93 176.4 3.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.03 -176.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.816 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.2 m -59.26 165.82 2.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -59.71 122.19 13.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.4 -19.91 52.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.589 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.441 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 3.8 m-85 -107.13 161.59 14.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.765 0.317 . . . . 0.0 110.819 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.445 ' CE2' ' HG3' ' A' ' 26' ' ' ARG . 1.4 p90 -147.71 173.78 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.9 t -106.29 148.16 28.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.007 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.445 ' HG3' ' CE2' ' A' ' 24' ' ' TYR . 30.9 mtp85 -140.02 140.75 36.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -77.38 172.46 13.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.779 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.06 -71.63 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -143.63 162.68 40.47 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -44.22 105.48 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.636 2.224 . . . . 0.0 112.546 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.97 27.47 4.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.428 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 p -109.99 160.48 16.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 110.943 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.671 HG23 ' HD1' ' A' ' 34' ' ' PHE . 15.2 tt -116.94 -30.66 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.671 ' HD1' HG23 ' A' ' 33' ' ' ILE . 5.9 m-85 -117.89 149.48 40.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.0 -152.72 5.86 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.539 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.21 166.12 18.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.337 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 45.5 t -101.07 126.87 47.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -130.04 176.07 8.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.441 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -89.95 138.68 31.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 32.0 mtt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.458 HD13 ' HB3' ' A' ' 11' ' ' CYS . 78.0 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -100.51 169.35 9.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 128.5 31.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.81 26.55 16.6 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.449 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.407 ' O ' HG23 ' A' ' 36' ' ' THR . . . -114.99 167.81 10.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.828 0.346 . . . . 0.0 111.089 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -92.32 126.13 37.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.458 ' HB3' HD13 ' A' ' 5' ' ' LEU . 25.8 p -149.82 139.57 21.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.406 ' HD3' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -109.14 169.81 8.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.957 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.498 HG23 ' CG ' ' A' ' 14' ' ' TYR . 11.7 m -59.31 -50.96 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.521 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.498 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.6 m-85 -90.8 28.16 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.89 -179.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.2 p -65.8 175.81 1.8 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.33 . . . . 0.0 110.893 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.0 -124.51 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.397 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -60.12 157.0 13.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.363 . . . . 0.0 110.788 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.3 m -70.02 178.57 2.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.97 -176.4 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.0 m -63.92 -179.62 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.802 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -73.61 106.93 5.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.04 -1.22 29.98 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.854 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.419 ' CE2' ' HG2' ' A' ' 39' ' ' ARG . 3.6 m-85 -131.56 152.01 51.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.827 0.346 . . . . 0.0 110.783 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -132.91 -178.17 4.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.987 179.725 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.0 t -106.01 118.99 38.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -107.12 140.33 40.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -76.2 151.81 36.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.415 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 33.4 m-20 -59.87 -62.51 1.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.415 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 7.3 p90 -149.67 162.77 27.34 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -49.93 99.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.624 2.216 . . . . 0.0 112.411 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.93 26.85 3.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 m -108.29 159.58 16.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.652 HG23 ' HD1' ' A' ' 34' ' ' PHE . 14.8 tt -109.32 -30.23 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.038 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.652 ' HD1' HG23 ' A' ' 33' ' ' ILE . 5.7 m-85 -117.8 151.02 38.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.908 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.97 -150.18 5.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 9' ' ' ALA . 0.2 OUTLIER -136.28 158.23 44.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.909 0.385 . . . . 0.0 110.942 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.6 t -84.9 131.25 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.8 m -129.99 172.68 11.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.419 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 7.8 mtm-85 -69.28 153.52 43.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.441 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 11' ' ' CYS . 6.1 mt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.88 0.372 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -95.42 170.8 9.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.4 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -55.65 127.48 30.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.35 27.2 25.9 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.465 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.01 160.76 17.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 111.091 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.5 mtt180 -89.9 115.6 27.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.44 ' HB3' HD22 ' A' ' 5' ' ' LEU . 27.8 p -133.48 134.14 43.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.65 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.473 ' CB ' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.06 161.07 13.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.154 -179.767 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.497 HG23 ' CG ' ' A' ' 14' ' ' TYR . 11.4 m -52.97 -50.11 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.646 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.497 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.8 m-85 -90.72 25.92 2.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.747 -179.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 p -63.16 172.84 1.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.845 0.355 . . . . 0.0 110.866 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.9 -125.98 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -63.68 167.5 5.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.813 0.339 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 m -70.03 178.21 2.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.02 178.2 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 82.2 m -66.04 169.63 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -61.98 116.15 4.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.13 20.0 34.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.61 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.468 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 96.7 m-85 -140.08 152.67 46.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.419 ' CD1' ' HG3' ' A' ' 26' ' ' ARG . 13.5 p90 -131.64 165.18 24.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.0 t -118.54 117.83 30.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.419 ' HG3' ' CD1' ' A' ' 24' ' ' TYR . 85.5 mtt180 -120.72 144.9 48.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -77.07 -178.99 5.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -77.79 -50.5 12.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -160.01 160.65 26.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.767 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.02 95.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.62 2.213 . . . . 0.0 112.073 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.08 -21.09 3.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.577 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.97 175.61 4.31 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.746 0.307 . . . . 0.0 110.8 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.499 HG23 ' N ' ' A' ' 34' ' ' PHE . 19.8 tt -120.03 -46.72 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.368 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.499 ' N ' HG23 ' A' ' 33' ' ' ILE . 3.8 m-30 -102.68 153.82 19.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.8 0.333 . . . . 0.0 110.968 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.0 -154.22 6.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.526 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.5 m -132.84 153.32 51.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.812 0.339 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.1 t -92.67 129.0 38.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.032 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -130.12 151.28 50.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.468 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -63.53 149.06 47.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 11' ' ' CYS . 21.7 mt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.827 0.346 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -98.29 167.47 10.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.804 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.454 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -56.94 141.56 44.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.54 23.1 60.97 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.419 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.9 167.94 9.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 111.019 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -100.64 122.46 43.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.012 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.529 ' HB3' HD13 ' A' ' 5' ' ' LEU . 23.6 p -135.79 143.13 45.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.756 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.435 ' HD2' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -108.62 171.72 7.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.974 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.561 HG23 ' CG ' ' A' ' 14' ' ' TYR . 21.5 m -68.85 -42.4 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.461 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.561 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.5 m-85 -90.29 19.11 5.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.659 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -177.97 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.881 0.372 . . . . 0.0 110.737 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.51 -125.0 0.87 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.453 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.6 167.1 2.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.751 0.31 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 m -77.19 -178.41 5.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.031 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.9 m -69.92 -178.77 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.9 m -61.33 168.07 2.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.804 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' A' ' 21' ' ' PHE . 26.9 p90 -58.98 121.86 12.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.871 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.17 -18.36 57.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.651 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 41.5 m-85 -114.84 154.18 29.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.859 0.361 . . . . 0.0 110.959 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CE1' ' HA ' ' A' ' 40' ' ' ARG . 2.8 p90 -139.92 171.8 13.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.9 t -95.26 142.13 28.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.403 ' HD2' ' CZ ' ' A' ' 24' ' ' TYR . 14.3 mtp-105 -129.89 125.32 35.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -77.44 153.08 33.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -60.24 -69.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -147.15 162.51 32.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.15 102.87 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.49 2.127 . . . . 0.0 112.354 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.7 28.31 3.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.842 -0.695 . . . . 0.0 112.478 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.98 165.39 11.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 0.0 111.004 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.532 HG23 ' HD1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -112.29 -32.98 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.532 ' HD1' HG23 ' A' ' 33' ' ' ILE . 18.9 m-85 -133.79 148.62 51.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.854 0.359 . . . . 0.0 110.976 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.62 -150.66 5.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.55 156.91 46.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 38.1 t -93.91 132.65 38.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.1 m -130.06 171.3 12.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -78.47 138.7 38.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.989 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.441 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 16.6 ttt180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 11' ' ' CYS . 63.3 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.839 0.352 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -89.97 178.49 6.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.746 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.25 134.41 44.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.02 24.53 48.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.42 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.95 159.14 17.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.4 mtp85 -97.66 130.42 44.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.552 ' HB3' HD13 ' A' ' 5' ' ' LEU . 30.9 p -144.15 167.94 21.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.697 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -130.4 164.02 25.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.968 0.413 . . . . 0.0 111.084 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.555 HG23 ' CG ' ' A' ' 14' ' ' TYR . 15.5 m -58.24 -47.91 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.633 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.555 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.8 m-85 -90.6 24.48 2.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.934 -178.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.402 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 1.4 t -69.16 174.69 4.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.767 0.318 . . . . 0.0 110.821 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.61 -125.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.332 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -67.61 -178.19 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.784 0.326 . . . . 0.0 110.787 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.2 m -81.29 -179.09 7.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.92 -176.23 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.8 m -58.01 -176.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.71 115.07 9.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.94 5.41 58.45 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.961 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.451 ' CE2' ' CG ' ' A' ' 39' ' ' ARG . 7.0 m-85 -135.93 150.61 49.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.759 0.314 . . . . 0.0 110.795 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.493 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -129.67 -178.59 4.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.9 179.738 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.1 t -107.06 134.32 50.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.7 162.26 24.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -104.91 159.11 16.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.57 -70.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -142.95 162.57 42.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.97 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -51.56 109.01 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.547 2.164 . . . . 0.0 112.396 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.17 24.59 5.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.599 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 p -110.0 165.45 11.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.67 HG23 ' HD1' ' A' ' 34' ' ' PHE . 15.1 tt -113.2 -29.79 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.67 ' HD1' HG23 ' A' ' 33' ' ' ILE . 7.2 m-85 -121.86 151.67 40.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.774 179.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.04 -148.06 4.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.635 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.0 m -131.63 164.19 26.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.7 t -87.64 137.89 31.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.7 m -130.1 154.13 47.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.451 ' CG ' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -69.94 157.45 37.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 25.0 ttp180 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.851 HD13 ' HB3' ' A' ' 11' ' ' CYS . 16.9 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.875 0.369 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -100.48 178.25 4.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.71 128.26 31.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.77 28.09 24.87 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.47 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.59 157.58 20.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.098 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.92 123.54 33.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.776 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.851 ' HB3' HD13 ' A' ' 5' ' ' LEU . 22.5 p -151.52 134.17 15.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.994 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.486 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.88 175.4 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 179.811 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.554 HG23 ' H ' ' A' ' 14' ' ' TYR . 3.1 m -56.67 -56.35 14.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.469 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.554 ' H ' HG23 ' A' ' 13' ' ' VAL . 4.8 m-85 -90.86 24.57 2.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.798 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.401 ' HB3' ' HG3' ' A' ' 12' ' ' ARG . 6.0 p -55.53 163.71 1.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.819 0.343 . . . . 0.0 111.102 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.76 -122.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.316 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.28 143.45 39.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.764 0.316 . . . . 0.0 110.842 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 m -70.01 178.76 2.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.7 m -70.0 170.76 10.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.761 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.0 m -61.76 164.87 5.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -60.57 126.51 27.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.23 -9.22 65.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.748 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.465 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 5.2 m-85 -119.72 163.34 17.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.773 0.32 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.417 ' CE1' ' HA ' ' A' ' 40' ' ' ARG . 2.1 p90 -143.65 152.67 41.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.3 t -91.79 149.56 21.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.402 ' HD2' ' CE2' ' A' ' 24' ' ' TYR . 74.0 mtp180 -136.41 148.76 47.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -85.72 164.0 17.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -65.61 -72.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.404 ' HB2' ' HD2' ' A' ' 30' ' ' PRO . 4.6 p90 -135.92 161.4 62.88 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.78 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 29' ' ' PHE . 9.2 Cg_endo -50.5 92.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.74 2.293 . . . . 0.0 112.115 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.9 27.86 2.86 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.466 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.9 t -96.9 178.24 5.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.789 0.328 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.566 HG23 ' HD1' ' A' ' 34' ' ' PHE . 2.3 tp -117.46 -33.3 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.303 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.566 ' HD1' HG23 ' A' ' 33' ' ' ILE . 16.9 m-85 -131.11 152.49 50.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.917 0.389 . . . . 0.0 111.202 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.05 -150.52 5.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.424 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.5 m -132.46 164.24 27.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.758 0.313 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.1 t -102.93 137.41 41.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.8 m -129.98 160.35 33.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.465 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 13.1 ptm180 -75.08 133.9 41.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.417 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 1.9 ttt-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.741 0.305 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.515 ' O ' HG23 ' A' ' 3' ' ' THR . 1.5 pt -81.16 98.08 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.193 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 2' ' ' ILE . 0.6 OUTLIER -164.88 173.74 11.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.7 p -96.5 174.13 7.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' A' ' 11' ' ' CYS . 6.6 mt -77.06 111.31 12.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -96.98 167.21 11.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.721 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.452 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -53.8 128.33 29.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.078 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.03 27.75 7.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.413 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.23 161.88 31.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 111.045 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.11 148.67 21.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.477 ' HB3' HD13 ' A' ' 5' ' ' LEU . 28.4 p -160.05 131.07 5.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.773 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.411 ' HG2' ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -100.03 166.17 11.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.948 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.507 HG23 ' CG ' ' A' ' 14' ' ' TYR . 11.6 m -55.55 -50.94 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.573 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.507 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.4 m-85 -90.76 26.36 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.757 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.411 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 27.6 p -65.67 177.78 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.25 -122.95 0.13 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -55.97 148.33 17.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.857 0.36 . . . . 0.0 110.961 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.5 m -69.92 177.92 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.421 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 1.8 m -69.94 172.1 8.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.2 m -67.07 178.62 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -65.01 131.62 47.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.84 13.77 82.78 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.786 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.472 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 42.2 m-85 -140.08 130.9 25.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.735 0.303 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.465 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -115.16 -178.78 3.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.922 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.7 t -118.63 115.51 24.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.65 160.52 14.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -82.62 176.7 9.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.037 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.442 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 72.2 m-20 -90.03 -50.27 6.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.952 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.442 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 5.2 p90 -159.47 160.39 28.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.59 98.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.686 2.258 . . . . 0.0 112.132 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.31 25.48 3.78 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.99 165.28 11.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.706 0.288 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.619 HG23 ' HD1' ' A' ' 34' ' ' PHE . 14.5 tt -113.78 -31.03 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.201 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.619 ' HD1' HG23 ' A' ' 33' ' ' ILE . 3.7 m-85 -110.42 155.99 21.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.884 0.373 . . . . 0.0 111.02 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.09 -145.35 4.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.47 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -150.06 159.64 44.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.739 0.305 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.4 t -84.92 133.67 34.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.6 m -130.01 157.51 42.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.472 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 2.3 ptm180 -72.4 142.52 48.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.465 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 22.7 mtp180 -66.57 167.61 10.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.76 141.13 47.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.3 p90 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.885 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.893 0.377 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.434 HD11 ' SG ' ' A' ' 20' ' ' CYS . 5.7 tp -104.2 139.22 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.2 t -109.24 -23.65 11.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.5 p -110.79 164.35 12.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.782 HD13 ' HB3' ' A' ' 11' ' ' CYS . 25.0 mt -71.63 134.01 46.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.437 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 2.4 t80 -106.08 173.97 6.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.444 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -52.74 134.74 36.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.15 28.18 56.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.04 152.69 23.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 111.03 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -90.03 119.28 30.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.782 ' HB3' HD13 ' A' ' 5' ' ' LEU . 26.5 p -138.98 137.04 36.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -101.22 166.66 10.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.023 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.55 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.1 m -56.47 -47.23 82.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.439 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.55 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.7 m-85 -90.7 21.26 4.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.788 -179.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.6 p -60.97 176.82 0.37 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.825 0.345 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.96 -125.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.261 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.15 163.85 16.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.815 0.34 . . . . 0.0 110.668 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.6 m -69.96 176.33 3.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.94 179.12 2.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.434 ' SG ' HD11 ' A' ' 2' ' ' ILE . 91.9 m -64.28 171.26 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -60.78 120.49 10.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.81 17.21 56.95 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.649 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.45 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 46.7 m-85 -140.1 134.88 31.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.703 0.287 . . . . 0.0 110.782 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.449 ' CD1' ' HG2' ' A' ' 26' ' ' ARG . 2.3 p90 -112.37 -177.08 3.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.079 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.1 t -128.76 106.86 9.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.738 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.449 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 6.3 mmm180 -105.66 138.55 41.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.957 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -72.34 176.94 4.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -69.87 -64.59 0.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -149.79 162.53 27.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.773 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -47.22 97.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.512 2.141 . . . . 0.0 112.393 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.31 27.14 2.97 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.475 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -108.08 166.34 10.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 110.829 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.668 HG23 ' HD1' ' A' ' 34' ' ' PHE . 16.0 tt -114.18 -30.44 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.278 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.668 ' HD1' HG23 ' A' ' 33' ' ' ILE . 6.1 m-85 -118.43 151.5 37.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 111.025 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.03 -152.73 5.86 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.452 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 37' ' ' CYS . 15.2 m -134.09 163.87 28.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 0.0 110.981 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.422 ' N ' HG22 ' A' ' 36' ' ' THR . 28.1 t -98.29 126.28 43.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.6 m -130.05 154.36 47.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.45 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -64.06 155.43 31.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.431 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -89.83 68.41 7.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.971 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.02 173.65 7.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 35.3 p90 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.944 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.834 0.349 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.3 pt -118.58 108.33 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.24 -176.54 5.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.2 p -126.61 172.89 9.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.535 HD13 ' HB3' ' A' ' 11' ' ' CYS . 15.3 mt -86.67 132.11 33.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.971 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.425 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 17.3 t80 -97.18 166.49 11.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.431 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -56.76 139.71 49.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.978 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.38 26.53 65.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.437 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.28 173.49 6.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 111.079 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.5 mtt85 -103.33 116.86 33.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.535 ' HB3' HD13 ' A' ' 5' ' ' LEU . 29.0 p -136.86 158.96 43.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.458 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -121.03 163.66 17.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.106 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.561 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.0 m -57.89 -47.74 85.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.481 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.561 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.7 m-85 -90.6 23.37 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.789 -178.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.5 t -64.54 175.56 1.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.815 0.341 . . . . 0.0 110.871 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.21 -125.8 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.352 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.15 170.49 9.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.842 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.5 m -70.11 177.29 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.92 -175.34 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.725 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.5 m -56.21 178.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.58 109.73 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.97 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.36 -18.45 41.79 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.851 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 94.5 m-85 -106.7 160.87 15.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.866 0.365 . . . . 0.0 111.031 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.434 ' CE2' ' HG2' ' A' ' 26' ' ' ARG . 2.0 p90 -144.95 174.24 11.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.851 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.3 t -93.67 141.36 28.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.434 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -131.65 145.17 51.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -93.82 152.95 18.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.437 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 8.3 m-20 -61.98 -59.22 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.031 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 3.9 p90 -149.28 161.14 33.02 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.745 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.19 102.27 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.648 2.232 . . . . 0.0 112.125 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.73 26.89 3.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.487 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.0 t -108.81 164.26 12.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 0.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.665 HG23 ' HD1' ' A' ' 34' ' ' PHE . 12.4 tt -113.14 -30.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.665 ' HD1' HG23 ' A' ' 33' ' ' ILE . 21.6 m-85 -127.03 142.95 51.42 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.906 0.384 . . . . 0.0 110.956 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.77 -147.08 4.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.436 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 m -126.53 160.0 31.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 50.9 t -95.01 132.12 40.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.0 m -130.06 167.18 18.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.44 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 6.2 ppt_? -76.62 130.7 38.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.43 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.5 -55.25 18.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -161.58 36.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.856 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.4 t80 . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.919 0.39 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.0 pt -101.08 77.83 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.074 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.0 m -107.89 -22.79 12.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.8 p -108.89 160.57 15.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 19' ' ' CYS . 3.3 mt -68.96 107.72 3.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -93.82 175.01 6.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.48 142.84 51.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.78 27.59 64.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.373 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.2 167.32 10.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.838 0.352 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -91.18 123.25 34.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -150.19 132.19 15.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.411 ' HD2' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.9 169.88 8.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.003 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.654 HG12 ' HE ' ' A' ' 27' ' ' ARG . 8.6 m -55.99 -52.8 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.549 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.491 ' N ' HG23 ' A' ' 13' ' ' VAL . 5.1 m-85 -90.88 28.8 1.47 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.627 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.6 p -63.75 162.29 13.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.46 -123.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -55.9 149.07 15.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 m -69.87 179.45 2.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 9.3 m -69.98 175.98 4.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.8 m -59.26 176.8 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.79 117.49 6.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.965 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.0 20.03 54.37 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.668 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 9.6 m-85 -132.1 141.7 49.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.699 0.285 . . . . 0.0 110.736 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.498 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 1.4 p90 -122.96 163.06 21.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.86 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.6 t -104.43 113.75 27.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.987 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.47 150.34 23.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.654 ' HE ' HG12 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -78.02 176.86 8.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.43 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 35.1 m-20 -83.04 -64.38 1.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.43 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 7.1 p90 -148.89 162.61 28.82 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.74 100.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.608 2.205 . . . . 0.0 112.29 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.27 26.34 4.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.51 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 m -110.08 161.55 15.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.618 HG23 ' HD1' ' A' ' 34' ' ' PHE . 13.6 tt -110.89 -30.8 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.053 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.618 ' HD1' HG23 ' A' ' 33' ' ' ILE . 4.0 m-85 -111.67 152.42 27.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.942 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.97 -150.77 5.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.559 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.85 168.38 17.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.7 t -100.38 132.53 45.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.4 m -130.07 161.17 31.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.469 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -82.73 142.21 31.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.727 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.498 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 9.3 ttt-85 -73.89 89.61 1.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -112.48 -178.55 3.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 60.8 t80 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.947 -179.921 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.794 0.33 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.655 HD13 ' H ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -140.7 153.95 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.9 p -133.74 111.19 10.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.1 p -89.95 166.49 13.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.69 HD13 ' HB3' ' A' ' 11' ' ' CYS . 51.8 mt -87.01 123.5 32.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -99.33 174.65 6.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.68 130.73 46.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.002 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.96 26.19 15.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.425 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.6 147.08 49.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 111.079 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -90.0 142.03 28.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.69 ' HB3' HD13 ' A' ' 5' ' ' LEU . 25.5 p -146.91 142.41 27.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.749 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.451 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.96 174.38 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.0 0.429 . . . . 0.0 111.055 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.564 HG23 ' CG ' ' A' ' 14' ' ' TYR . 24.9 m -69.4 -43.32 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.481 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.564 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.7 m-85 -90.33 19.45 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.787 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -179.38 0.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 110.762 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.41 -125.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.41 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -75.26 174.68 9.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.785 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.6 m -70.01 -179.91 2.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.799 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.94 -176.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.3 m -65.78 -177.73 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -60.46 126.09 26.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.04 20.07 77.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.592 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 87.3 m-85 -136.27 138.45 41.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.722 0.296 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.493 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.2 OUTLIER -126.07 168.08 14.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.909 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.9 t -105.14 117.09 33.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -113.59 145.89 40.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -79.69 -178.44 6.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.434 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 24.5 m-20 -89.74 -44.29 10.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.434 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 2.1 p90 -160.04 162.07 24.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.789 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.86 96.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.579 2.186 . . . . 0.0 112.093 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.34 25.73 3.4 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.53 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 t -99.71 164.48 12.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.817 0.341 . . . . 0.0 110.829 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.661 HG23 ' HD1' ' A' ' 34' ' ' PHE . 16.8 tt -114.55 -30.15 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.246 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.661 ' HD1' HG23 ' A' ' 33' ' ' ILE . 8.5 m-85 -123.84 149.18 46.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.851 0.358 . . . . 0.0 111.088 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -147.88 -145.2 4.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.396 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.498 HG22 ' H ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -136.41 -177.71 4.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.88 0.371 . . . . 0.0 111.033 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.498 ' H ' HG22 ' A' ' 36' ' ' THR . 37.0 t -115.66 128.55 55.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.2 m -130.13 157.37 42.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 14.0 ptt-85 -73.29 154.52 40.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 6.8 mtp85 -70.06 150.58 46.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.977 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -111.5 151.51 28.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.166 -0.921 . . . . 0.0 110.872 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.542 ' O ' HD13 ' A' ' 2' ' ' ILE . 44.0 m-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.828 0.347 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.542 HD13 ' O ' ' A' ' 1' ' ' TYR . 23.4 mm -132.65 95.71 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.2 p -97.77 -23.68 15.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p -95.09 -176.79 3.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.559 HD13 ' HB3' ' A' ' 11' ' ' CYS . 80.1 mt -109.26 115.54 30.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.413 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 2.9 t80 -90.08 175.74 7.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.413 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -57.27 142.94 41.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.984 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.75 26.01 70.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.425 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.74 166.21 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -95.95 125.86 40.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.559 ' HB3' HD13 ' A' ' 5' ' ' LEU . 18.2 p -146.79 170.28 17.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.439 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -133.2 171.27 14.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.856 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.519 HG23 ' CG ' ' A' ' 14' ' ' TYR . 14.2 m -62.4 -51.28 74.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.514 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.519 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.6 m-85 -90.77 23.6 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.939 -179.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.96 168.04 2.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.885 0.374 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.41 -125.14 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.325 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 160.97 9.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.778 0.323 . . . . 0.0 110.681 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.2 m -69.93 -179.5 1.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.02 -176.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.714 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.6 m -59.87 176.04 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.762 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.1 116.61 6.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.827 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.33 6.14 66.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.772 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 9.2 m-85 -129.95 150.31 51.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.835 0.35 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.432 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -134.46 176.13 8.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.022 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.5 t -107.98 136.55 47.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.799 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -127.41 140.83 51.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.475 ' HD2' HG12 ' A' ' 13' ' ' VAL . 4.4 mtp180 -70.08 161.74 29.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -69.85 -56.13 7.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -150.88 163.7 22.85 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -48.76 94.23 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.569 2.179 . . . . 0.0 112.4 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.93 40.56 1.17 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.363 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.5 t -110.03 165.04 12.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 111.032 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.567 HG23 ' HD1' ' A' ' 34' ' ' PHE . 1.8 tp -113.21 -32.26 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.567 ' HD1' HG23 ' A' ' 33' ' ' ILE . 16.6 m-85 -131.47 130.88 43.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.808 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.28 -151.25 7.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.538 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 37' ' ' CYS . 58.7 m -124.29 162.14 24.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 110.983 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.441 ' N ' HG22 ' A' ' 36' ' ' THR . 48.7 t -95.11 138.26 33.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.959 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.2 m -130.03 167.48 18.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.44 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -81.24 152.27 27.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.432 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -82.3 148.87 28.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -171.29 76.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.82 0.343 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.681 HD13 ' H ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -93.86 17.77 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.546 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -113.4 -22.57 10.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.144 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.4 p -122.79 -176.51 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.486 HD13 ' HB3' ' A' ' 11' ' ' CYS . 42.3 mt -103.52 133.33 48.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.441 ' CE2' ' HG3' ' A' ' 7' ' ' ARG . 31.2 t80 -89.93 160.56 16.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.756 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.454 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -59.0 143.93 46.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.994 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.26 25.31 64.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.429 ' O ' HG23 ' A' ' 36' ' ' THR . . . -105.77 174.39 5.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 111.103 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -105.18 114.4 28.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.964 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.486 ' HB3' HD13 ' A' ' 5' ' ' LEU . 31.7 p -128.44 158.16 39.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.71 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.435 ' HB3' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -119.89 161.4 20.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.995 0.426 . . . . 0.0 111.121 -179.822 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.535 HG23 ' CG ' ' A' ' 14' ' ' TYR . 13.7 m -55.94 -48.54 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.651 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.535 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.8 m-85 -90.57 25.33 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.818 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.416 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 8.2 t -64.14 174.56 1.53 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.769 0.318 . . . . 0.0 110.798 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.79 -125.19 0.11 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.406 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -59.04 163.03 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 m -71.96 177.47 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.01 -176.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.8 m -66.47 -177.9 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -70.92 111.4 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.32 9.38 44.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.801 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 70.4 m-85 -140.1 150.9 44.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.809 0.338 . . . . 0.0 110.843 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -134.65 -178.32 5.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.042 179.779 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.5 t -108.39 118.19 36.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.981 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -114.62 140.58 48.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -82.23 157.92 23.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -63.94 -63.89 1.04 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -145.29 160.41 45.61 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.778 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.57 95.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.657 2.238 . . . . 0.0 112.073 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.19 -19.94 3.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.62 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.4 t -70.81 161.64 30.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.761 0.315 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.661 HG23 ' HD1' ' A' ' 34' ' ' PHE . 15.0 tt -109.53 -30.33 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.131 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.661 ' HD1' HG23 ' A' ' 33' ' ' ILE . 5.7 m-85 -117.76 152.7 34.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.895 0.379 . . . . 0.0 110.94 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.52 -151.1 5.37 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.545 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 9' ' ' ALA . 33.9 m -131.92 147.02 52.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.349 . . . . 0.0 111.01 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.8 t -80.23 126.44 31.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.416 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 21.0 m -130.18 153.35 48.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 4.0 ppt_? -60.42 168.32 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.975 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -98.86 -47.39 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.55 152.19 26.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.908 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.852 0.358 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.577 ' H ' HD12 ' A' ' 2' ' ' ILE . 3.9 mp -80.13 127.24 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -82.59 89.36 6.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.0 p -95.21 -179.97 4.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 mt -77.0 89.24 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -89.97 174.38 7.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.73 155.55 7.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.2 23.96 76.48 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.558 ' O ' HG23 ' A' ' 36' ' ' THR . . . -118.02 179.56 4.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.768 0.318 . . . . 0.0 111.067 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -114.92 137.43 51.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -150.28 158.25 43.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.72 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.431 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -119.3 162.01 19.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.901 0.381 . . . . 0.0 111.093 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.6 HG23 ' CG ' ' A' ' 14' ' ' TYR . 34.4 m -58.11 -43.33 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.445 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.6 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.9 m-85 -90.45 21.93 3.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.786 -178.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.7 t -69.57 171.25 9.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.838 0.352 . . . . 0.0 110.749 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.13 -125.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.351 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.22 172.62 2.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.851 0.357 . . . . 0.0 110.758 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -78.29 -177.01 4.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.86 -178.61 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.701 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.5 m -57.49 -176.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.0 122.03 17.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.81 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.03 4.0 78.89 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.764 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 4.5 m-85 -131.52 145.51 51.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.675 0.274 . . . . 0.0 110.749 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.48 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -127.7 -178.42 4.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.968 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.1 t -109.89 126.2 53.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -121.62 137.02 54.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -80.85 176.69 9.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -77.02 -66.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.4 ' CE1' ' OG ' ' A' ' 32' ' ' SER . 1.8 p90 -146.33 162.6 34.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -49.3 92.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.567 2.178 . . . . 0.0 112.412 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 133.25 -11.01 5.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.755 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.4 ' OG ' ' CE1' ' A' ' 29' ' ' PHE . 74.6 m -73.03 155.98 39.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.654 HG23 ' HD1' ' A' ' 34' ' ' PHE . 15.8 tt -107.07 -28.49 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.654 ' HD1' HG23 ' A' ' 33' ' ' ILE . 10.3 m-85 -127.18 147.52 50.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.911 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.6 -148.69 4.9 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.447 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 9' ' ' ALA . 2.4 m -133.86 153.85 51.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 t -78.4 134.55 37.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 m -130.04 139.79 50.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.459 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -59.46 140.17 56.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.962 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.48 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 1.1 ttt-85 -83.86 150.8 25.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.22 -178.19 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.854 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.786 0.326 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 pp -146.51 158.93 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.64 121.16 31.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.7 p -139.48 -177.31 4.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.65 HD13 ' HB3' ' A' ' 11' ' ' CYS . 66.1 mt -87.95 113.99 24.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.414 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 2.0 t80 -107.32 176.62 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.744 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.414 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -49.2 132.48 19.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.966 0.413 . . . . 0.0 111.11 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.85 31.19 29.98 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.454 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 36' ' ' THR . . . -114.81 164.27 14.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.89 0.376 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -100.03 126.43 46.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.65 ' HB3' HD13 ' A' ' 5' ' ' LEU . 31.8 p -149.81 138.19 20.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.731 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.462 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.91 175.36 5.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.903 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.594 HG23 ' CG ' ' A' ' 14' ' ' TYR . 27.2 m -67.65 -46.87 81.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.394 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.594 ' CG ' HG23 ' A' ' 13' ' ' VAL . 10.3 m-85 -90.87 22.89 3.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.731 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.13 179.3 0.73 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.84 0.352 . . . . 0.0 110.79 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.14 -125.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.266 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -72.82 -176.92 2.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.762 0.315 . . . . 0.0 110.772 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.7 m -79.95 177.94 8.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.01 -175.28 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.6 m -55.98 178.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -60.68 118.47 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.66 20.0 62.61 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.674 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 17.9 m-85 -133.43 141.58 47.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.78 0.324 . . . . 0.0 110.814 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.435 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -123.54 -179.0 4.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.926 179.807 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.7 t -113.08 115.72 28.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.49 131.81 52.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.986 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -83.0 -174.23 5.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.435 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 54.7 m-20 -81.1 -61.97 1.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 11.7 p90 -156.78 162.3 27.85 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.751 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 29' ' ' PHE . 84.8 Cg_exo -46.24 93.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.627 2.218 . . . . 0.0 112.436 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.78 35.28 0.85 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.483 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.39 171.91 7.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.504 HG23 ' HD1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -120.08 -35.16 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.289 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.504 ' HD1' HG23 ' A' ' 33' ' ' ILE . 14.9 m-85 -130.63 148.89 52.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.961 0.41 . . . . 0.0 111.183 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.58 -151.42 5.45 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.433 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 9' ' ' ALA . 4.2 m -131.85 154.85 48.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 36.4 t -76.82 136.51 38.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.1 m -130.04 135.98 48.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -60.0 144.88 48.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 9.6 ttt-85 -89.36 116.19 27.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.03 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.69 117.16 33.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.2 p90 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.817 0.341 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.574 ' O ' HG23 ' A' ' 2' ' ' ILE . 8.5 tp -127.5 111.64 25.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.31 28.39 8.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.7 p -150.05 149.51 30.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.728 HD13 ' HB3' ' A' ' 11' ' ' CYS . 55.6 mt -66.75 109.91 3.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.444 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 7.8 t80 -90.26 167.59 12.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.758 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.444 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -49.07 135.09 16.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.192 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.49 27.03 37.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.25 154.36 29.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 111.058 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.54 127.94 37.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.728 ' HB3' HD13 ' A' ' 5' ' ' LEU . 26.7 p -142.82 140.71 31.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.762 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.444 ' HD2' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -104.3 176.0 5.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.817 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.606 HG23 ' CG ' ' A' ' 14' ' ' TYR . 32.1 m -69.35 -45.31 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.291 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.606 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.2 m-85 -90.65 21.34 4.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.724 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.59 179.27 0.64 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.753 0.311 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.38 -125.44 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.386 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 ttp85 -64.34 167.98 6.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.732 0.301 . . . . 0.0 110.827 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.8 m -76.66 178.18 6.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.07 -176.68 1.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 68.0 m -64.22 166.55 7.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.782 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -60.26 110.04 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.02 -10.68 31.81 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.86 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.454 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 25.1 m-85 -120.86 144.97 48.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.735 0.302 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.509 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.6 OUTLIER -124.28 -178.18 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.92 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 30.2 t -113.89 123.13 49.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -114.72 151.6 33.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.6 mtt85 -76.94 161.13 28.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.459 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 32.5 m-20 -77.72 -53.49 7.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 4.3 p90 -155.8 160.99 30.4 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.812 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.76 102.63 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.694 2.263 . . . . 0.0 112.211 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.4 24.28 5.7 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.561 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.96 148.5 31.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.628 HG23 ' HD1' ' A' ' 34' ' ' PHE . 15.0 tt -98.39 -30.89 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.628 ' HD1' HG23 ' A' ' 33' ' ' ILE . 3.4 m-85 -109.33 154.26 22.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.947 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.88 -153.78 6.19 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 37' ' ' CYS . 2.8 m -131.79 167.69 19.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.406 ' H ' HG22 ' A' ' 36' ' ' THR . 30.1 t -97.52 132.06 43.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.5 m -129.96 163.92 25.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.454 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 18.2 ptt180 -79.46 155.4 28.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.509 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 40.8 mtp85 -77.06 148.65 36.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.96 170.9 7.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.6 p90 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.913 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.871 0.367 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.716 ' O ' HG23 ' A' ' 3' ' ' THR . 7.8 tp -154.71 129.85 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 2' ' ' ILE . 0.7 OUTLIER -172.06 -39.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.2 p -102.08 167.72 9.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.016 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 19' ' ' CYS . 8.5 mt -61.98 121.8 13.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.409 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 7.1 t80 -99.98 170.61 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.724 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.437 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -58.96 148.58 30.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.25 26.81 71.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.408 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.96 168.37 9.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.874 0.369 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 -95.29 129.42 42.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.809 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.0 p -148.46 137.67 21.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.816 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.483 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -103.44 173.67 6.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.604 HG23 ' CG ' ' A' ' 14' ' ' TYR . 34.3 m -69.21 -44.53 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.432 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.604 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.1 m-85 -90.53 21.36 3.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.752 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.49 -179.82 0.69 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.837 0.351 . . . . 0.0 110.869 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.37 -125.47 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.41 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.75 162.44 13.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.728 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.4 m -69.99 -179.98 2.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 1.7 m -69.93 -176.47 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.0 m -65.59 177.61 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.53 120.44 11.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.26 19.61 62.19 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.647 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 7' ' ' ARG . 72.5 m-85 -140.07 148.21 41.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.75 0.309 . . . . 0.0 110.687 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.431 ' CE1' ' HA ' ' A' ' 40' ' ' ARG . 2.1 p90 -142.81 174.96 10.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.023 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.1 t -98.19 135.72 39.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.409 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 8.5 mmm180 -119.38 131.83 55.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -69.91 161.44 29.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.432 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 1.8 m-20 -75.52 -57.28 3.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.432 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 8.0 p90 -156.29 162.76 26.84 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -49.95 100.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.476 2.117 . . . . 0.0 112.335 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.73 25.22 4.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.465 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -101.04 167.21 10.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.937 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.501 HG23 ' N ' ' A' ' 34' ' ' PHE . 18.2 tt -112.75 -46.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.501 ' N ' HG23 ' A' ' 33' ' ' ILE . 3.6 m-30 -103.67 159.7 15.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.862 0.363 . . . . 0.0 110.807 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.12 -161.96 10.21 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.562 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.1 m -128.19 150.34 50.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.8 t -79.67 128.01 32.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.06 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.1 m -129.98 157.09 43.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.434 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -70.35 130.8 42.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.431 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 4.7 ttm180 -71.94 93.09 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -119.09 178.67 4.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.964 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.822 0.344 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 pt -133.65 40.85 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.06 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.9 t -99.47 149.67 22.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.6 p -97.61 159.44 14.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.423 HD13 ' HB3' ' A' ' 11' ' ' CYS . 18.1 mt -62.74 122.57 16.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.437 ' CE2' ' HG3' ' A' ' 7' ' ' ARG . 48.7 t80 -97.25 157.04 16.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.783 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.469 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -52.86 135.45 36.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.144 179.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.05 -21.28 25.12 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.05 171.72 9.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 111.014 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -105.9 150.9 25.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.423 ' HB3' HD13 ' A' ' 5' ' ' LEU . 21.7 p -144.6 142.63 30.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.714 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.503 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.84 168.56 9.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.024 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.572 HG23 ' CG ' ' A' ' 14' ' ' TYR . 22.8 m -63.2 -46.75 95.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.544 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.572 ' CG ' HG23 ' A' ' 13' ' ' VAL . 10.1 m-85 -90.61 21.07 4.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.836 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.457 ' HB3' ' HG2' ' A' ' 12' ' ' ARG . 1.9 p -60.58 169.12 1.89 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.789 0.328 . . . . 0.0 110.834 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.23 -123.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.121 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.9 mtm-85 -60.72 156.38 17.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.751 0.31 . . . . 0.0 110.7 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.5 m -69.81 178.09 2.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.86 -179.67 1.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 68.6 m -64.77 165.81 9.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.866 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -59.24 122.71 14.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.18 -17.18 58.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.656 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CE2' ' HB3' ' A' ' 7' ' ' ARG . 19.4 m-85 -118.78 143.57 46.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -128.6 173.71 10.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.9 t -91.04 152.68 20.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -139.34 138.97 37.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.33 164.6 18.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.432 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 57.7 m-20 -78.03 -53.81 6.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.014 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.432 ' CD2' ' HB3' ' A' ' 28' ' ' ASP . 5.2 p90 -155.84 160.77 30.56 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.88 99.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.7 2.267 . . . . 0.0 112.186 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.15 23.93 4.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.611 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.6 p -102.18 162.85 12.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.846 0.355 . . . . 0.0 110.821 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.441 ' O ' HG22 ' A' ' 13' ' ' VAL . 19.3 tt -108.76 -44.46 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.06 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.503 ' CD1' ' HB3' ' A' ' 12' ' ' ARG . 3.3 m-85 -105.51 153.84 21.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.896 0.379 . . . . 0.0 111.083 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.83 -144.96 4.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -145.93 157.55 43.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.0 t -83.07 135.73 34.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.3 m -129.97 162.75 27.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.782 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.469 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -79.68 137.12 36.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.881 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.5 ttm-85 -71.43 -60.49 2.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.797 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -161.16 126.2 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.808 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 37.0 p90 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.169 -0.92 . . . . 0.0 111.012 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.98 0.419 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.2 mm -114.55 68.83 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.5 p -145.45 175.51 10.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.8 p -130.25 -179.78 5.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 19' ' ' CYS . 11.4 mt -89.62 110.47 21.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -95.98 167.6 11.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.696 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.5 134.08 55.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.62 -15.51 52.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.585 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.94 163.83 14.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.875 0.369 . . . . 0.0 111.065 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -93.02 144.06 25.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.099 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.1 p -153.77 137.24 15.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.557 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.402 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -102.88 162.96 12.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.382 . . . . 0.0 111.053 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.557 HG23 ' CG ' ' A' ' 14' ' ' TYR . 16.7 m -55.33 -46.37 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.469 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.557 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.8 m-85 -90.53 20.76 4.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.812 -179.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.2 p -60.91 172.14 1.04 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.721 0.296 . . . . 0.0 110.775 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.93 -125.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.31 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -64.31 167.37 6.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.786 0.326 . . . . 0.0 110.771 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.1 m -70.0 179.98 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.802 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.407 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 1.7 m -70.02 -176.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.2 m -64.02 -177.67 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.68 111.4 4.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.96 18.4 37.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.682 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.449 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 38.9 m-85 -139.99 154.61 47.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.789 0.328 . . . . 0.0 110.825 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.437 ' CE2' ' HG2' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -137.36 -178.24 5.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.107 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.7 t -110.15 108.24 18.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 65.9 mtp85 -101.04 128.67 46.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -70.07 159.25 34.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.37 -72.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -142.08 163.27 41.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -48.28 101.71 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.561 2.174 . . . . 0.0 112.404 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.26 26.05 3.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.572 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 m -110.01 163.9 13.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.803 0.335 . . . . 0.0 110.807 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.624 HG23 ' HD1' ' A' ' 34' ' ' PHE . 10.3 tt -113.09 -30.92 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.168 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.624 ' HD1' HG23 ' A' ' 33' ' ' ILE . 5.2 m-85 -115.94 149.53 38.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.839 0.352 . . . . 0.0 111.018 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.99 -168.25 15.01 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.405 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -117.41 151.35 37.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.35 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.6 t -80.54 129.97 34.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.7 m -130.05 161.73 30.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.449 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -72.43 155.2 40.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.437 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -82.4 85.76 6.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.9 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -116.77 -175.42 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.862 0.363 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.5 HD12 ' O ' ' A' ' 2' ' ' ILE . 2.3 pp -143.44 130.07 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.5 p -130.4 78.18 1.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.5 p -106.34 -179.11 3.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.57 HD13 ' HB3' ' A' ' 11' ' ' CYS . 10.0 mt -80.62 107.25 13.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.408 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 10.1 t80 -91.37 169.3 10.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.408 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -57.69 130.88 48.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.941 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.45 26.53 9.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.483 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.53 156.06 41.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.819 0.342 . . . . 0.0 111.056 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.34 135.09 33.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.57 ' HB3' HD13 ' A' ' 5' ' ' LEU . 16.6 p -145.76 134.0 21.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.725 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.99 169.32 9.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.03 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.602 HG23 ' CG ' ' A' ' 14' ' ' TYR . 34.2 m -63.67 -44.18 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.349 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.602 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.0 m-85 -90.57 22.16 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.702 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.58 -175.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.809 0.337 . . . . 0.0 110.767 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.53 -126.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.383 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 179.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.336 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.6 m -83.41 -179.47 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 1.8 m -69.93 173.05 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.6 m -60.12 166.16 3.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.812 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.404 ' O ' ' CD2' ' A' ' 21' ' ' PHE . 49.7 p90 -59.89 116.07 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.75 7.12 59.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.677 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.475 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 3.0 m-85 -132.93 141.65 48.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.753 0.311 . . . . 0.0 110.694 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.448 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -119.17 170.28 9.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.058 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.0 t -115.71 107.2 14.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.782 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.54 138.4 37.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 ptp85 -74.38 -176.66 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.755 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -85.71 -68.4 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -140.62 161.25 55.57 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.776 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.85 96.22 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.718 2.279 . . . . 0.0 112.16 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.65 24.69 3.33 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.641 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.9 t -97.75 168.52 10.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.73 0.3 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.662 HG23 ' HD1' ' A' ' 34' ' ' PHE . 15.9 tt -116.89 -30.4 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.405 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.662 ' HD1' HG23 ' A' ' 33' ' ' ILE . 8.6 m-85 -123.29 152.73 41.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.907 0.384 . . . . 0.0 111.067 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.02 -148.36 4.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.386 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 37' ' ' CYS . 1.3 m -137.65 169.98 16.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.763 0.316 . . . . 0.0 110.986 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.436 ' H ' HG22 ' A' ' 36' ' ' THR . 34.0 t -107.37 128.97 54.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.7 m -130.07 150.3 51.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.475 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -69.5 156.18 39.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.448 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -85.25 115.71 23.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -81.99 142.4 32.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.811 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.2 t80 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.864 0.364 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.525 ' H ' HD12 ' A' ' 2' ' ' ILE . 3.9 mp -86.09 138.53 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.37 167.33 13.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.2 p -101.72 171.78 7.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.682 HD13 ' HB3' ' A' ' 11' ' ' CYS . 55.5 mt -77.94 122.78 25.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -102.2 173.03 6.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.97 134.48 55.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.77 24.44 49.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.425 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.11 172.76 6.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.8 122.16 43.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.682 ' HB3' HD13 ' A' ' 5' ' ' LEU . 7.5 p -146.27 143.89 29.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.622 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.431 ' HD3' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -109.14 167.04 10.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.937 0.399 . . . . 0.0 111.137 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.548 HG23 ' CG ' ' A' ' 14' ' ' TYR . 15.6 m -56.76 -48.28 81.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.58 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.548 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.4 m-85 -90.69 23.79 2.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.872 -178.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -62.22 171.74 1.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.763 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.7 -126.03 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.283 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.85 162.46 8.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.745 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 m -69.93 176.4 3.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.03 -176.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.816 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.2 m -59.26 165.82 2.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -59.71 122.19 13.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.4 -19.91 52.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.589 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.441 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 3.8 m-85 -107.13 161.59 14.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.765 0.317 . . . . 0.0 110.819 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.445 ' CE2' ' HG3' ' A' ' 26' ' ' ARG . 1.4 p90 -147.71 173.78 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.9 t -106.29 148.16 28.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.007 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.445 ' HG3' ' CE2' ' A' ' 24' ' ' TYR . 30.9 mtp85 -140.02 140.75 36.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -77.38 172.46 13.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.779 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.06 -71.63 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -143.63 162.68 40.47 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -44.22 105.48 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.636 2.224 . . . . 0.0 112.546 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.97 27.47 4.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.428 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 p -109.99 160.48 16.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 110.943 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.671 HG23 ' HD1' ' A' ' 34' ' ' PHE . 15.2 tt -116.94 -30.66 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.671 ' HD1' HG23 ' A' ' 33' ' ' ILE . 5.9 m-85 -117.89 149.48 40.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.0 -152.72 5.86 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.539 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.21 166.12 18.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.337 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 45.5 t -101.07 126.87 47.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -130.04 176.07 8.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.441 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -89.95 138.68 31.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 32.0 mtt180 -60.02 -48.33 82.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -151.52 164.56 36.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.939 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 12.0 p90 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.676 0.274 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.458 HD13 ' H ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -59.94 -29.1 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.242 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.8 p -154.66 -45.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.067 0.46 . . . . 0.0 111.052 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.7 p -94.1 174.81 6.97 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.842 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.458 HD13 ' HB3' ' A' ' 11' ' ' CYS . 78.0 mt -87.8 120.22 28.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -100.51 169.35 9.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 128.5 31.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.81 26.55 16.6 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.449 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.407 ' O ' HG23 ' A' ' 36' ' ' THR . . . -114.99 167.81 10.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.828 0.346 . . . . 0.0 111.089 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -92.32 126.13 37.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.458 ' HB3' HD13 ' A' ' 5' ' ' LEU . 25.8 p -149.82 139.57 21.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.406 ' HD3' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -109.14 169.81 8.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.957 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.498 HG23 ' CG ' ' A' ' 14' ' ' TYR . 11.7 m -59.31 -50.96 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.521 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.498 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.6 m-85 -90.8 28.16 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.89 -179.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.2 p -65.8 175.81 1.8 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.33 . . . . 0.0 110.893 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.0 -124.51 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.397 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -60.12 157.0 13.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.363 . . . . 0.0 110.788 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.3 m -70.02 178.57 2.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.97 -176.4 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.0 m -63.92 -179.62 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.802 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -73.61 106.93 5.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.04 -1.22 29.98 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.854 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.419 ' CE2' ' HG2' ' A' ' 39' ' ' ARG . 3.6 m-85 -131.56 152.01 51.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.827 0.346 . . . . 0.0 110.783 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -132.91 -178.17 4.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.987 179.725 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.0 t -106.01 118.99 38.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -107.12 140.33 40.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -76.2 151.81 36.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.415 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 33.4 m-20 -59.87 -62.51 1.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.415 ' CD1' ' HB3' ' A' ' 28' ' ' ASP . 7.3 p90 -149.67 162.77 27.34 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -49.93 99.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.624 2.216 . . . . 0.0 112.411 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.93 26.85 3.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 m -108.29 159.58 16.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.652 HG23 ' HD1' ' A' ' 34' ' ' PHE . 14.8 tt -109.32 -30.23 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.038 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.652 ' HD1' HG23 ' A' ' 33' ' ' ILE . 5.7 m-85 -117.8 151.02 38.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.908 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.97 -150.18 5.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 9' ' ' ALA . 0.2 OUTLIER -136.28 158.23 44.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.909 0.385 . . . . 0.0 110.942 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.6 t -84.9 131.25 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.8 m -129.99 172.68 11.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.419 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 7.8 mtm-85 -69.28 153.52 43.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.441 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -92.32 -52.73 4.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -81.5 161.69 23.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.901 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.837 0.351 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mp -101.57 -54.72 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.057 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.38 -174.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.6 p -104.86 177.78 4.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 11' ' ' CYS . 6.1 mt -60.55 103.13 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -95.42 170.8 9.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.4 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -55.65 127.48 30.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.35 27.2 25.9 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.465 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.01 160.76 17.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 111.091 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.5 mtt180 -89.9 115.6 27.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.44 ' HB3' HD22 ' A' ' 5' ' ' LEU . 27.8 p -133.48 134.14 43.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.65 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.473 ' CB ' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -100.06 161.07 13.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.154 -179.767 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.497 HG23 ' CG ' ' A' ' 14' ' ' TYR . 11.4 m -52.97 -50.11 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.646 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.497 ' CG ' HG23 ' A' ' 13' ' ' VAL . 7.8 m-85 -90.72 25.92 2.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.747 -179.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 p -63.16 172.84 1.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.845 0.355 . . . . 0.0 110.866 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.9 -125.98 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -63.68 167.5 5.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.813 0.339 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 m -70.03 178.21 2.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.02 178.2 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 82.2 m -66.04 169.63 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -61.98 116.15 4.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.13 20.0 34.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.61 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.468 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 96.7 m-85 -140.08 152.67 46.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.419 ' CD1' ' HG3' ' A' ' 26' ' ' ARG . 13.5 p90 -131.64 165.18 24.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.0 t -118.54 117.83 30.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.419 ' HG3' ' CD1' ' A' ' 24' ' ' TYR . 85.5 mtt180 -120.72 144.9 48.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -77.07 -178.99 5.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -77.79 -50.5 12.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -160.01 160.65 26.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.767 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.02 95.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.62 2.213 . . . . 0.0 112.073 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.08 -21.09 3.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.577 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.97 175.61 4.31 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.746 0.307 . . . . 0.0 110.8 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.499 HG23 ' N ' ' A' ' 34' ' ' PHE . 19.8 tt -120.03 -46.72 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.368 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.499 ' N ' HG23 ' A' ' 33' ' ' ILE . 3.8 m-30 -102.68 153.82 19.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.8 0.333 . . . . 0.0 110.968 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.0 -154.22 6.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.526 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.5 m -132.84 153.32 51.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.812 0.339 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.1 t -92.67 129.0 38.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.032 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -130.12 151.28 50.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.468 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -63.53 149.06 47.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.51 164.54 24.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -91.54 94.95 9.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.891 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.43 ' HE1' ' HB2' ' A' ' 9' ' ' ALA . 15.9 m-85 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.812 0.339 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.494 HG23 ' N ' ' A' ' 3' ' ' THR . 3.9 tp -122.75 -44.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.494 ' N ' HG23 ' A' ' 2' ' ' ILE . 3.0 p -135.09 -44.4 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.066 0.46 . . . . 0.0 111.084 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.6 p -116.4 170.5 8.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.843 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 11' ' ' CYS . 21.7 mt -93.93 131.52 39.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -98.29 167.47 10.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.804 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.454 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -56.94 141.56 44.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.54 23.1 60.97 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.419 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.43 ' HB2' ' HE1' ' A' ' 1' ' ' TYR . . . -108.9 167.94 9.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 111.019 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -100.64 122.46 43.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.012 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.529 ' HB3' HD13 ' A' ' 5' ' ' LEU . 23.6 p -135.79 143.13 45.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.756 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.435 ' HD2' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -108.62 171.72 7.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.974 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.561 HG23 ' CG ' ' A' ' 14' ' ' TYR . 21.5 m -68.85 -42.4 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.461 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.561 ' CG ' HG23 ' A' ' 13' ' ' VAL . 8.5 m-85 -90.29 19.11 5.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.659 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -177.97 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.881 0.372 . . . . 0.0 110.737 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.51 -125.0 0.87 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.453 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.6 167.1 2.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.751 0.31 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 m -77.19 -178.41 5.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.031 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.9 m -69.92 -178.77 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.9 m -61.33 168.07 2.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.804 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' A' ' 21' ' ' PHE . 26.9 p90 -58.98 121.86 12.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.871 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.17 -18.36 57.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.651 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 41.5 m-85 -114.84 154.18 29.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.859 0.361 . . . . 0.0 110.959 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CE1' ' HA ' ' A' ' 40' ' ' ARG . 2.8 p90 -139.92 171.8 13.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.9 t -95.26 142.13 28.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.403 ' HD2' ' CZ ' ' A' ' 24' ' ' TYR . 14.3 mtp-105 -129.89 125.32 35.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -77.44 153.08 33.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -60.24 -69.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -147.15 162.51 32.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.15 102.87 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.49 2.127 . . . . 0.0 112.354 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.7 28.31 3.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.842 -0.695 . . . . 0.0 112.478 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.98 165.39 11.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 0.0 111.004 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.532 HG23 ' HD1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -112.29 -32.98 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.532 ' HD1' HG23 ' A' ' 33' ' ' ILE . 18.9 m-85 -133.79 148.62 51.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.854 0.359 . . . . 0.0 110.976 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.62 -150.66 5.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.55 156.91 46.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 38.1 t -93.91 132.65 38.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.1 m -130.06 171.3 12.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -78.47 138.7 38.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.989 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.441 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 16.6 ttt180 -70.06 90.66 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -151.17 108.81 3.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.97 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.85 179.934 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.841 0.353 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.5 HG23 ' N ' ' A' ' 3' ' ' THR . 0.9 OUTLIER -143.54 -45.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.5 ' N ' HG23 ' A' ' 2' ' ' ILE . 58.8 m -60.37 87.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.5 p -109.05 177.06 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 11' ' ' CYS . 63.3 mt -93.65 103.16 15.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.01 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -89.97 178.49 6.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.746 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.25 134.41 44.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.02 24.53 48.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.42 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.95 159.14 17.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.4 mtp85 -97.66 130.42 44.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.552 ' HB3' HD13 ' A' ' 5' ' ' LEU . 30.9 p -144.15 167.94 21.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.697 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -130.4 164.02 25.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.968 0.413 . . . . 0.0 111.084 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.555 HG23 ' CG ' ' A' ' 14' ' ' TYR . 15.5 m -58.24 -47.91 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.633 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.555 ' CG ' HG23 ' A' ' 13' ' ' VAL . 9.8 m-85 -90.6 24.48 2.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.934 -178.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.402 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 1.4 t -69.16 174.69 4.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.767 0.318 . . . . 0.0 110.821 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.61 -125.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.332 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -67.61 -178.19 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.784 0.326 . . . . 0.0 110.787 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.2 m -81.29 -179.09 7.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -69.92 -176.23 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.8 m -58.01 -176.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.71 115.07 9.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.94 5.41 58.45 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.961 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.451 ' CE2' ' CG ' ' A' ' 39' ' ' ARG . 7.0 m-85 -135.93 150.61 49.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.759 0.314 . . . . 0.0 110.795 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.493 ' CE2' ' HA ' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -129.67 -178.59 4.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.9 179.738 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.1 t -107.06 134.32 50.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.7 162.26 24.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -104.91 159.11 16.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.57 -70.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -142.95 162.57 42.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.97 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -51.56 109.01 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.547 2.164 . . . . 0.0 112.396 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.17 24.59 5.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.599 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 p -110.0 165.45 11.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.67 HG23 ' HD1' ' A' ' 34' ' ' PHE . 15.1 tt -113.2 -29.79 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.67 ' HD1' HG23 ' A' ' 33' ' ' ILE . 7.2 m-85 -121.86 151.67 40.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.774 179.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.04 -148.06 4.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.635 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.0 m -131.63 164.19 26.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.7 t -87.64 137.89 31.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.7 m -130.1 154.13 47.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.451 ' CG ' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -69.94 157.45 37.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 25.0 ttp180 -97.04 53.04 1.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -124.31 77.45 1.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.4 p90 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.941 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 54.8 p90 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.798 0.332 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.6 tp -87.55 139.19 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.1 p -110.97 -23.72 10.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.272 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p -147.5 -177.55 5.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.851 HD13 ' HB3' ' A' ' 11' ' ' CYS . 16.9 mt -114.22 122.87 48.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -100.48 178.25 4.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.71 128.26 31.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.77 28.09 24.87 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.47 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.59 157.58 20.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.098 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.92 123.54 33.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.776 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.851 ' HB3' HD13 ' A' ' 5' ' ' LEU . 22.5 p -151.52 134.17 15.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.994 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.486 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -99.88 175.4 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 179.811 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.554 HG23 ' H ' ' A' ' 14' ' ' TYR . 3.1 m -56.67 -56.35 14.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.469 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.554 ' H ' HG23 ' A' ' 13' ' ' VAL . 4.8 m-85 -90.86 24.57 2.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.798 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.401 ' HB3' ' HG3' ' A' ' 12' ' ' ARG . 6.0 p -55.53 163.71 1.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.819 0.343 . . . . 0.0 111.102 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.76 -122.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.316 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.28 143.45 39.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.764 0.316 . . . . 0.0 110.842 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 m -70.01 178.76 2.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.7 m -70.0 170.76 10.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.761 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.0 m -61.76 164.87 5.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -60.57 126.51 27.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.23 -9.22 65.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.748 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.465 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 5.2 m-85 -119.72 163.34 17.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.773 0.32 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.417 ' CE1' ' HA ' ' A' ' 40' ' ' ARG . 2.1 p90 -143.65 152.67 41.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.3 t -91.79 149.56 21.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.402 ' HD2' ' CE2' ' A' ' 24' ' ' TYR . 74.0 mtp180 -136.41 148.76 47.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -85.72 164.0 17.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -65.61 -72.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.404 ' HB2' ' HD2' ' A' ' 30' ' ' PRO . 4.6 p90 -135.92 161.4 62.88 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.78 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 29' ' ' PHE . 9.2 Cg_endo -50.5 92.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.74 2.293 . . . . 0.0 112.115 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.9 27.86 2.86 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.466 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.9 t -96.9 178.24 5.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.789 0.328 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.566 HG23 ' HD1' ' A' ' 34' ' ' PHE . 2.3 tp -117.46 -33.3 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.303 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.566 ' HD1' HG23 ' A' ' 33' ' ' ILE . 16.9 m-85 -131.11 152.49 50.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.917 0.389 . . . . 0.0 111.202 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.05 -150.52 5.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.424 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.5 m -132.46 164.24 27.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.758 0.313 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.1 t -102.93 137.41 41.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.8 m -129.98 160.35 33.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.465 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 13.1 ptm180 -75.08 133.9 41.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.417 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 1.9 ttt-85 -62.92 108.74 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -126.24 36.85 4.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 stop_ save_