data_1vm3_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 1vm3 _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 ' 3' ' ' PHE . . . . . . . . . . . . . 25.1 t80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.765 0.317 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 1.0 OUTLIER -69.9 -26.19 64.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.665 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.5 mp -78.95 -26.73 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.084 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 t -78.04 -33.58 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.684 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -80.94 -24.18 38.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.2 m -86.67 -20.87 27.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.564 0.697 . . . . 0.0 109.308 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 tp -74.89 -38.75 61.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.273 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 p -57.44 -33.13 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.147 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.0 p -72.48 -18.13 61.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.465 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.884 -179.869 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.1 t80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.761 0.315 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.34 -23.91 63.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.625 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.5 mp -81.56 -28.8 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.064 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.1 t -73.26 -28.3 25.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.598 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -81.03 -25.32 37.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.73 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.6 t -86.62 -21.08 26.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.502 0.667 . . . . 0.0 109.464 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tp -76.73 -34.46 58.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.071 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 p -59.0 -34.87 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.957 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.9 t -66.86 -15.99 64.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.158 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.688 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.0 t80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.83 0.347 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -72.84 -29.45 63.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.631 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 mp -71.26 -29.25 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.3 t -72.95 -28.0 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.174 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.419 ' CB ' ' HZ2' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -81.09 -23.37 38.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.459 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.8 t -86.53 -20.97 27.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.487 0.661 . . . . 0.0 109.298 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 tp -76.26 -34.73 59.14 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.114 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 p -59.3 -34.53 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.5 m -66.44 -16.31 64.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.052 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.644 179.919 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.0 t80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.701 0.286 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -64.74 -34.77 79.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.657 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.84 -27.03 18.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.8 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.0 t -71.53 -26.83 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.416 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -80.4 -22.71 40.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.584 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.7 m -86.73 -21.55 26.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.508 0.67 . . . . 0.0 109.378 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tp -75.86 -35.32 59.94 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.222 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 p -59.26 -33.89 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.148 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 t -69.63 -15.91 63.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.478 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 . . . . . 0 C--N 1.332 -0.189 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.93 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 83.7 t80 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.825 0.345 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -63.72 -30.72 71.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.615 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.06 -26.39 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.944 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 t -79.34 -27.51 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -81.09 -23.86 38.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.724 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.8 t -86.46 -20.94 27.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.52 0.676 . . . . 0.0 109.434 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 tp -76.19 -36.01 58.84 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.157 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 p -58.76 -33.53 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.165 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.6 t -69.76 -15.76 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.386 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 1.5 m-20 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -46.95 81.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.918 0.39 . . . . 0.0 110.246 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -54.98 -19.92 7.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.639 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 1.0 OUTLIER -69.9 -26.19 64.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.665 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.5 mp -78.95 -26.73 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.084 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 t -78.04 -33.58 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.684 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -80.94 -24.18 38.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.2 m -86.67 -20.87 27.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.564 0.697 . . . . 0.0 109.308 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 tp -74.89 -38.75 61.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.273 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 p -57.44 -33.13 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.147 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.0 p -72.48 -18.13 61.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.465 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -87.57 -87.59 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -77.18 25.02 0.17 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.786 -179.644 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.31 0 O-C-N 120.036 -1.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 3' ' ' PHE . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 tp -44.9 -19.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 0.0 110.619 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.449 ' N ' ' O ' ' A' ' 1' ' ' GLY . 33.1 t80 -62.02 -19.94 63.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.519 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.34 -23.91 63.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.625 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.5 mp -81.56 -28.8 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.064 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.1 t -73.26 -28.3 25.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.598 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -81.03 -25.32 37.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.73 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.6 t -86.62 -21.08 26.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.502 0.667 . . . . 0.0 109.464 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tp -76.73 -34.46 58.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.071 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 p -59.0 -34.87 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.957 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.9 t -66.86 -15.99 64.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.158 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -89.97 -79.01 0.35 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.688 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -88.63 18.44 4.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.619 -179.791 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 120.084 -1.635 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.469 ' C ' ' CD2' ' A' ' 2' ' ' LEU . 0.3 OUTLIER -82.67 -31.68 28.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.155 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -57.81 -19.95 32.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.615 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -72.84 -29.45 63.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.631 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 mp -71.26 -29.25 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.3 t -72.95 -28.0 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.174 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.419 ' CB ' ' HZ2' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -81.09 -23.37 38.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.459 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.8 t -86.53 -20.97 27.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.487 0.661 . . . . 0.0 109.298 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 tp -76.26 -34.73 59.14 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.114 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 p -59.3 -34.53 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.5 m -66.44 -16.31 64.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.052 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -89.84 -74.5 0.48 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.644 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.524 ' CD1' ' N ' ' A' ' 14' ' ' NH2 . 0.1 OUTLIER -94.14 -13.94 26.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.668 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . 0.524 ' N ' ' CD1' ' A' ' 13' ' ' PHE . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 120.042 -1.661 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.451 ' N ' ' OD2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.69 -45.64 19.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.033 0.444 . . . . 0.0 110.25 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -51.27 -24.08 4.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.676 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.451 ' OD2' ' N ' ' A' ' 1' ' ' GLY . 24.3 m-20 -64.74 -34.77 79.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.657 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.84 -27.03 18.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.8 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.0 t -71.53 -26.83 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.416 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -80.4 -22.71 40.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.584 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.7 m -86.73 -21.55 26.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.508 0.67 . . . . 0.0 109.378 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tp -75.86 -35.32 59.94 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.222 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 p -59.26 -33.89 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.148 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 t -69.63 -15.91 63.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.478 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -90.71 -84.3 0.24 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.489 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -81.11 20.43 0.81 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.673 -179.671 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 120.066 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.03 -48.01 69.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.948 0.404 . . . . 0.0 110.239 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -50.75 -22.05 1.93 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.498 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -63.72 -30.72 71.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.615 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.06 -26.39 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.944 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 t -79.34 -27.51 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -81.09 -23.86 38.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.724 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.8 t -86.46 -20.94 27.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.52 0.676 . . . . 0.0 109.434 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 tp -76.19 -36.01 58.84 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.157 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 p -58.76 -33.53 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.165 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.6 t -69.76 -15.76 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.386 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 1.5 m-20 -90.94 -83.53 0.27 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.492 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -81.52 1.67 32.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.683 -179.731 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.02 -1.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.1 t80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.765 0.317 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 1.0 OUTLIER -69.9 -26.19 64.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.665 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.5 mp -78.95 -26.73 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.084 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 t -78.04 -33.58 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.684 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.537 ' O ' HG12 ' A' ' 10' ' ' VAL . 34.4 tptt -80.94 -24.18 38.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.2 m -86.67 -20.87 27.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.564 0.697 . . . . 0.0 109.308 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 tp -74.89 -38.75 61.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.273 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 7' ' ' LYS . 3.3 p -57.44 -33.13 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.147 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.0 p -72.48 -18.13 61.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.465 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.884 -179.869 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.1 t80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.761 0.315 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.34 -23.91 63.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.625 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.5 mp -81.56 -28.8 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.064 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.1 t -73.26 -28.3 25.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.598 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.557 ' O ' HG12 ' A' ' 10' ' ' VAL . 22.2 tptp -81.03 -25.32 37.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.73 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.6 t -86.62 -21.08 26.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.502 0.667 . . . . 0.0 109.464 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tp -76.73 -34.46 58.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.071 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 7' ' ' LYS . 2.6 p -59.0 -34.87 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.957 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.9 t -66.86 -15.99 64.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.158 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.688 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.0 t80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.83 0.347 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -72.84 -29.45 63.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.631 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 mp -71.26 -29.25 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.3 t -72.95 -28.0 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.174 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.539 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -81.09 -23.37 38.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.459 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.8 t -86.53 -20.97 27.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.487 0.661 . . . . 0.0 109.298 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 tp -76.26 -34.73 59.14 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.114 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 7' ' ' LYS . 2.6 p -59.3 -34.53 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.5 m -66.44 -16.31 64.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.052 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.644 179.919 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.0 t80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.701 0.286 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -64.74 -34.77 79.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.657 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.84 -27.03 18.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.8 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.0 t -71.53 -26.83 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.416 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.549 ' O ' HG12 ' A' ' 10' ' ' VAL . 34.4 ttpt -80.4 -22.71 40.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.584 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.7 m -86.73 -21.55 26.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.508 0.67 . . . . 0.0 109.378 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tp -75.86 -35.32 59.94 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.222 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 7' ' ' LYS . 2.8 p -59.26 -33.89 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.148 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 t -69.63 -15.91 63.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.478 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 . . . . . 0 C--N 1.332 -0.189 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.93 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 83.7 t80 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.825 0.345 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -63.72 -30.72 71.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.615 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.06 -26.39 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.944 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 t -79.34 -27.51 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.539 ' O ' HG12 ' A' ' 10' ' ' VAL . 26.2 ttpp -81.09 -23.86 38.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.724 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.8 t -86.46 -20.94 27.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.52 0.676 . . . . 0.0 109.434 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 tp -76.19 -36.01 58.84 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.157 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 7' ' ' LYS . 2.5 p -58.76 -33.53 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.165 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.6 t -69.76 -15.76 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.386 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 1.5 m-20 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.539 HD13 ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -64.3 -46.95 81.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.918 0.39 . . . . 0.0 110.246 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -54.98 -19.92 7.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.639 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 1.0 OUTLIER -69.9 -26.19 64.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.665 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.5 mp -78.95 -26.73 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.084 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 t -78.04 -33.58 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.684 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.537 ' O ' HG12 ' A' ' 10' ' ' VAL . 34.4 tptt -80.94 -24.18 38.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.2 m -86.67 -20.87 27.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.564 0.697 . . . . 0.0 109.308 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 tp -74.89 -38.75 61.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.273 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 7' ' ' LYS . 3.3 p -57.44 -33.13 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.147 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.0 p -72.48 -18.13 61.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.465 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -87.57 -87.59 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -77.18 25.02 0.17 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.786 -179.644 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.31 0 O-C-N 120.036 -1.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 3' ' ' PHE . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 tp -44.9 -19.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 0.0 110.619 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.449 ' N ' ' O ' ' A' ' 1' ' ' GLY . 33.1 t80 -62.02 -19.94 63.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.519 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.34 -23.91 63.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.625 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.5 mp -81.56 -28.8 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.064 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.1 t -73.26 -28.3 25.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.598 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.557 ' O ' HG12 ' A' ' 10' ' ' VAL . 22.2 tptp -81.03 -25.32 37.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.73 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.6 t -86.62 -21.08 26.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.502 0.667 . . . . 0.0 109.464 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tp -76.73 -34.46 58.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.071 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 7' ' ' LYS . 2.6 p -59.0 -34.87 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.957 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.9 t -66.86 -15.99 64.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.158 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -89.97 -79.01 0.35 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.688 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -88.63 18.44 4.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.619 -179.791 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 120.084 -1.635 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.671 HD23 ' C ' ' A' ' 2' ' ' LEU . 0.3 OUTLIER -82.67 -31.68 28.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.155 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.64 ' N ' HD23 ' A' ' 2' ' ' LEU . 22.0 t80 -57.81 -19.95 32.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.615 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -72.84 -29.45 63.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.631 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 mp -71.26 -29.25 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.3 t -72.95 -28.0 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.174 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.539 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -81.09 -23.37 38.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.459 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.8 t -86.53 -20.97 27.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.487 0.661 . . . . 0.0 109.298 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 tp -76.26 -34.73 59.14 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.114 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 7' ' ' LYS . 2.6 p -59.3 -34.53 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.5 m -66.44 -16.31 64.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.052 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -89.84 -74.5 0.48 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.644 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.524 ' CD1' ' N ' ' A' ' 14' ' ' NH2 . 0.1 OUTLIER -94.14 -13.94 26.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.668 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.524 ' N ' ' CD1' ' A' ' 13' ' ' PHE . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 120.042 -1.661 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -46.69 -45.64 19.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.033 0.444 . . . . 0.0 110.25 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -51.27 -24.08 4.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.676 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -64.74 -34.77 79.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.657 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.84 -27.03 18.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.8 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.0 t -71.53 -26.83 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.416 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.549 ' O ' HG12 ' A' ' 10' ' ' VAL . 34.4 ttpt -80.4 -22.71 40.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.584 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.7 m -86.73 -21.55 26.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.508 0.67 . . . . 0.0 109.378 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tp -75.86 -35.32 59.94 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.222 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 7' ' ' LYS . 2.8 p -59.26 -33.89 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.148 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 t -69.63 -15.91 63.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.478 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -90.71 -84.3 0.24 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.489 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -81.11 20.43 0.81 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.673 -179.671 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 120.066 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -67.03 -48.01 69.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.948 0.404 . . . . 0.0 110.239 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -50.75 -22.05 1.93 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.498 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -63.72 -30.72 71.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.615 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.06 -26.39 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.944 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 t -79.34 -27.51 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.539 ' O ' HG12 ' A' ' 10' ' ' VAL . 26.2 ttpp -81.09 -23.86 38.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.724 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.8 t -86.46 -20.94 27.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.52 0.676 . . . . 0.0 109.434 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 tp -76.19 -36.01 58.84 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.157 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 7' ' ' LYS . 2.5 p -58.76 -33.53 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.165 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.6 t -69.76 -15.76 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.386 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 1.5 m-20 -90.94 -83.53 0.27 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.492 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -81.52 1.67 32.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.683 -179.731 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.02 -1.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.1 t80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.765 0.317 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 4' ' ' ASP . 1.0 OUTLIER -69.9 -26.19 64.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.665 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.5 mp -78.95 -26.73 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.084 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 t -78.04 -33.58 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.684 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.537 ' O ' HG12 ' A' ' 10' ' ' VAL . 34.4 tptt -80.94 -24.18 38.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.2 m -86.67 -20.87 27.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.564 0.697 . . . . 0.0 109.308 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 tp -74.89 -38.75 61.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.273 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 7' ' ' LYS . 3.3 p -57.44 -33.13 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.147 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.0 p -72.48 -18.13 61.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.465 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.884 -179.869 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.1 t80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.761 0.315 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.34 -23.91 63.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.625 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.5 mp -81.56 -28.8 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.064 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.1 t -73.26 -28.3 25.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.598 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.557 ' O ' HG12 ' A' ' 10' ' ' VAL . 22.2 tptp -81.03 -25.32 37.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.73 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.6 t -86.62 -21.08 26.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.502 0.667 . . . . 0.0 109.464 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tp -76.73 -34.46 58.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.071 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 7' ' ' LYS . 2.6 p -59.0 -34.87 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.957 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.9 t -66.86 -15.99 64.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.158 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.688 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.0 t80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.83 0.347 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -72.84 -29.45 63.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.631 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 mp -71.26 -29.25 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.3 t -72.95 -28.0 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.174 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.539 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -81.09 -23.37 38.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.459 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.8 t -86.53 -20.97 27.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.487 0.661 . . . . 0.0 109.298 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 tp -76.26 -34.73 59.14 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.114 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 7' ' ' LYS . 2.6 p -59.3 -34.53 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.5 m -66.44 -16.31 64.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.052 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.644 179.919 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.0 t80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.701 0.286 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -64.74 -34.77 79.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.657 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.84 -27.03 18.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.8 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.0 t -71.53 -26.83 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.416 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.549 ' O ' HG12 ' A' ' 10' ' ' VAL . 34.4 ttpt -80.4 -22.71 40.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.584 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.7 m -86.73 -21.55 26.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.508 0.67 . . . . 0.0 109.378 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tp -75.86 -35.32 59.94 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.222 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 7' ' ' LYS . 2.8 p -59.26 -33.89 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.148 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 t -69.63 -15.91 63.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.478 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 . . . . . 0 C--N 1.332 -0.189 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.93 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 83.7 t80 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.825 0.345 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -63.72 -30.72 71.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.615 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.06 -26.39 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.944 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 t -79.34 -27.51 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.539 ' O ' HG12 ' A' ' 10' ' ' VAL . 26.2 ttpp -81.09 -23.86 38.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.724 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.8 t -86.46 -20.94 27.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.52 0.676 . . . . 0.0 109.434 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 tp -76.19 -36.01 58.84 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.157 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 7' ' ' LYS . 2.5 p -58.76 -33.53 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.165 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.6 t -69.76 -15.76 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.386 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 12' ' ' ASP . 1.5 m-20 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.539 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -64.3 -46.95 81.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.918 0.39 . . . . 0.0 110.246 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -54.98 -19.92 7.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.639 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 4' ' ' ASP . 1.0 OUTLIER -69.9 -26.19 64.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.665 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.5 mp -78.95 -26.73 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.084 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 t -78.04 -33.58 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.684 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.537 ' O ' HG12 ' A' ' 10' ' ' VAL . 34.4 tptt -80.94 -24.18 38.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.2 m -86.67 -20.87 27.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.564 0.697 . . . . 0.0 109.308 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 tp -74.89 -38.75 61.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.273 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 7' ' ' LYS . 3.3 p -57.44 -33.13 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.147 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.0 p -72.48 -18.13 61.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.465 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -87.57 -87.59 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -77.18 25.02 0.17 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.786 -179.644 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.31 0 O-C-N 120.036 -1.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 3' ' ' PHE . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 tp -44.9 -19.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 0.0 110.619 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.449 ' N ' ' O ' ' A' ' 1' ' ' GLY . 33.1 t80 -62.02 -19.94 63.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.519 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.34 -23.91 63.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.625 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.5 mp -81.56 -28.8 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.064 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.1 t -73.26 -28.3 25.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.598 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.557 ' O ' HG12 ' A' ' 10' ' ' VAL . 22.2 tptp -81.03 -25.32 37.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.73 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.6 t -86.62 -21.08 26.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.502 0.667 . . . . 0.0 109.464 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tp -76.73 -34.46 58.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.071 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 7' ' ' LYS . 2.6 p -59.0 -34.87 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.957 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.9 t -66.86 -15.99 64.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.158 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -89.97 -79.01 0.35 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.688 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -88.63 18.44 4.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.619 -179.791 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 120.084 -1.635 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.671 ' C ' HD23 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -82.67 -31.68 28.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.155 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.64 ' N ' HD23 ' A' ' 2' ' ' LEU . 22.0 t80 -57.81 -19.95 32.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.615 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -72.84 -29.45 63.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.631 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 mp -71.26 -29.25 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.3 t -72.95 -28.0 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.174 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.539 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -81.09 -23.37 38.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.459 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.8 t -86.53 -20.97 27.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.487 0.661 . . . . 0.0 109.298 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 tp -76.26 -34.73 59.14 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.114 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 7' ' ' LYS . 2.6 p -59.3 -34.53 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.5 m -66.44 -16.31 64.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.052 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -89.84 -74.5 0.48 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.644 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.524 ' CD1' ' N ' ' A' ' 14' ' ' NH2 . 0.1 OUTLIER -94.14 -13.94 26.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.668 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.524 ' N ' ' CD1' ' A' ' 13' ' ' PHE . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 120.042 -1.661 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.551 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -46.69 -45.64 19.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.033 0.444 . . . . 0.0 110.25 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -51.27 -24.08 4.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.676 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -64.74 -34.77 79.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.657 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.84 -27.03 18.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.8 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.0 t -71.53 -26.83 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.416 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.549 ' O ' HG12 ' A' ' 10' ' ' VAL . 34.4 ttpt -80.4 -22.71 40.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.584 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.7 m -86.73 -21.55 26.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.508 0.67 . . . . 0.0 109.378 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tp -75.86 -35.32 59.94 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.222 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 7' ' ' LYS . 2.8 p -59.26 -33.89 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.148 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 t -69.63 -15.91 63.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.478 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -90.71 -84.3 0.24 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.489 ' CD1' ' C ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -81.11 20.43 0.81 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.673 -179.671 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 120.066 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.529 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -67.03 -48.01 69.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.948 0.404 . . . . 0.0 110.239 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -50.75 -22.05 1.93 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.498 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -63.72 -30.72 71.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.615 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.06 -26.39 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.944 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 t -79.34 -27.51 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.539 ' O ' HG12 ' A' ' 10' ' ' VAL . 26.2 ttpp -81.09 -23.86 38.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.724 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.8 t -86.46 -20.94 27.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.52 0.676 . . . . 0.0 109.434 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 tp -76.19 -36.01 58.84 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.157 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 7' ' ' LYS . 2.5 p -58.76 -33.53 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.165 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.6 t -69.76 -15.76 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.386 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 12' ' ' ASP . 1.5 m-20 -90.94 -83.53 0.27 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -81.52 1.67 32.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.683 -179.731 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.02 -1.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_