data_5ua8_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 5ua8 _Structure_validation_residue.Date_analyzed 2017-03-24 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 full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 t -65.67 -35.76 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.316 . . . . 0.0 110.589 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.5 t -55.84 -53.63 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.549 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.509 ' CG ' ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -60.28 -50.69 72.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.371 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.509 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 1.3 mm -52.64 -29.67 14.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.062 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.52 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -58.71 -29.66 66.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.826 0.346 . . . . 0.0 110.409 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.541 ' HG2' ' N ' ' A' ' 8' ' ' GLY . 7.5 pttp -65.77 -41.71 91.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.155 0.502 . . . . 0.0 110.374 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.541 ' N ' ' HG2' ' A' ' 7' ' ' LYS . . . -63.99 -26.8 70.52 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.66 -52.59 64.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 110.513 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.68 -34.66 62.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.341 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.2 tptp -74.07 -36.95 64.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.359 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -71.37 -54.76 9.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.634 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mp -58.69 -47.93 87.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.096 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.79 -46.53 74.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.235 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.67 -26.16 64.46 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -60.34 -37.89 82.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.482 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.3 tp -52.42 -43.33 64.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.168 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.05 97.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.434 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.8 t -60.13 -37.25 79.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.514 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.431 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 0.8 OUTLIER -57.57 -37.55 73.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.352 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.84 -34.95 67.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.483 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.6 tpt -61.3 -47.39 86.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.542 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.467 ' C ' ' ND2' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -61.35 -31.13 71.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.584 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -75.53 -56.24 4.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.701 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 pp -153.42 -17.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.544 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.02 -1.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.451 ' CA ' ' OD2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 t -52.8 -38.77 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 110.526 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 64.3 t -72.49 -42.38 64.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.634 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.5 ' CG ' ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -64.31 -49.37 72.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.652 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.5 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 1.3 mm -52.48 -29.17 12.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.342 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.523 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -62.07 -29.54 70.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.868 -179.615 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.533 ' HG2' ' N ' ' A' ' 8' ' ' GLY . 28.7 pttt -64.69 -42.04 95.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.088 0.47 . . . . 0.0 110.621 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.533 ' N ' ' HG2' ' A' ' 7' ' ' LYS . . . -51.4 -29.48 23.46 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.15 -52.6 13.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.714 0.293 . . . . 0.0 110.691 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.8 -41.15 88.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.703 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -50.37 -36.77 33.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.636 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -57.55 -44.1 84.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.669 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.4 mp -75.55 -50.4 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.495 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.27 -45.21 72.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.506 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.89 -37.96 58.92 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -65.34 -48.82 71.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.77 0.319 . . . . 0.0 110.69 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.6 -40.33 91.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.586 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.6 -25.7 28.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.642 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.3 t -53.51 -45.94 69.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.605 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.443 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -58.95 -45.88 89.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.406 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.6 t -70.61 -34.21 56.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.662 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -47.73 82.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.502 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -62.91 -29.61 70.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.508 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.48 -54.99 5.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.667 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 pp -154.77 -3.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.563 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 120.058 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.405 ' O ' ' OD2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.356 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.2 t -52.95 -34.41 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.368 . . . . 0.0 110.662 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.2 t -62.66 -53.4 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.645 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.507 ' CG ' ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -55.72 -48.85 74.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.913 0.387 . . . . 0.0 110.484 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.507 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 1.3 mm -52.24 -28.36 11.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.051 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.507 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -60.71 -29.52 69.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.659 -179.857 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.568 ' HG2' ' H ' ' A' ' 8' ' ' GLY . 32.7 pttt -61.05 -45.08 96.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.103 0.478 . . . . 0.0 110.65 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.568 ' H ' ' HG2' ' A' ' 7' ' ' LYS . . . -45.37 -16.93 0.11 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.457 ' N ' ' C ' ' A' ' 7' ' ' LYS . . . -65.69 -52.57 50.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.739 0.304 . . . . 0.0 110.73 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.71 -35.53 80.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.707 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -58.61 -36.8 74.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.751 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -57.36 -48.11 79.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.4 mp -77.39 -50.87 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.505 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.18 -30.47 64.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.559 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.07 -41.69 38.33 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.23 -48.44 20.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.764 0.316 . . . . 0.0 110.31 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.8 tp -56.09 -38.97 71.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.46 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.99 -49.84 75.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.424 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.3 t -53.3 -38.99 63.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.498 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.526 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 0.4 OUTLIER -58.58 -48.85 79.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.391 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.9 t -70.08 -34.18 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.539 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.3 ttt -61.43 -47.49 85.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.489 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -61.21 -37.36 82.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.669 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -67.87 -53.33 27.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.626 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 pp -156.32 -27.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.462 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.302 0 O-C-N 119.989 -1.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.7 t -64.71 -31.87 55.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.792 0.33 . . . . 0.0 110.535 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.7 t -59.15 -53.63 45.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.609 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.29 -47.46 85.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.683 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 mm -52.65 -31.08 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.057 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.518 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -58.02 -29.48 65.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.667 -179.723 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.508 ' HG2' ' N ' ' A' ' 8' ' ' GLY . 15.3 pttm -62.55 -42.31 99.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.113 0.482 . . . . 0.0 110.622 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.508 ' N ' ' HG2' ' A' ' 7' ' ' LYS . . . -40.74 -32.45 0.51 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.3 -46.97 88.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 110.588 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.63 -31.43 68.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.615 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -72.36 -37.34 68.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.617 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -61.44 -54.45 43.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.553 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mp -61.6 -45.61 98.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.344 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.87 -55.73 29.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.599 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.44 -9.36 8.67 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -78.47 -38.0 42.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.65 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.5 tp -65.9 -42.26 90.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.568 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.49 -49.02 56.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.636 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 t -53.35 -41.09 65.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.62 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.35 -54.64 37.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.511 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 25' ' ' LEU . 17.3 t -59.21 -39.52 78.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.661 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.1 ttt -61.51 -47.25 86.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -75.2 -32.06 61.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.707 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.523 ' O ' ' C ' ' A' ' 25' ' ' LEU . 3.2 tppt? -88.94 -8.41 54.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER 22.71 68.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.399 -179.614 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.985 -1.697 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 t -58.46 -33.5 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.754 0.311 . . . . 0.0 110.597 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.4 t -61.2 -53.28 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.552 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.497 ' CG ' ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -63.18 -49.03 75.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.643 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.497 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 1.3 mm -52.25 -28.58 11.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.256 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.516 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -61.17 -29.49 69.83 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.595 -179.835 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.547 ' HG2' ' N ' ' A' ' 8' ' ' GLY . 24.0 pttt -68.11 -41.53 81.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.092 0.472 . . . . 0.0 110.593 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.547 ' N ' ' HG2' ' A' ' 7' ' ' LYS . . . -61.5 -39.48 97.38 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.47 -47.43 79.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 0.0 110.649 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.61 -29.6 52.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.583 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.5 tttt -72.99 -36.43 67.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.528 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -57.26 -51.81 67.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.588 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.0 mp -73.94 -52.7 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.343 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.2 -37.46 46.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.474 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.86 -30.56 22.27 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.615 ' CD2' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -67.06 -39.45 86.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 0.0 110.417 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.615 ' N ' ' CD2' ' A' ' 16' ' ' HIS . 5.8 tp -49.08 -33.85 12.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.56 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.12 73.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.544 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.5 t -59.98 -44.8 94.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.623 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -59.7 -44.15 93.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.491 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.7 t -63.37 -41.0 91.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.567 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.2 ttt -60.7 -47.62 85.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.459 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.421 ' ND2' ' C ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -63.95 -38.51 91.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.708 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -70.0 -41.42 74.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.677 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 pp -157.71 -38.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.528 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.982 -1.699 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.0 t -64.64 -37.4 80.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.8 -38.46 72.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.545 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.416 ' OD1' ' NZ ' ' A' ' 7' ' ' LYS . 5.0 t70 -64.14 -48.94 74.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 mm -52.63 -28.38 12.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.221 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.515 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -62.28 -29.64 70.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.814 -179.612 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.581 ' HG2' ' H ' ' A' ' 8' ' ' GLY . 16.6 pttm -59.02 -46.74 87.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.145 0.498 . . . . 0.0 110.707 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.581 ' H ' ' HG2' ' A' ' 7' ' ' LYS . . . -63.78 -22.93 66.82 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.05 -52.5 14.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.753 0.311 . . . . 0.0 110.657 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.8 -29.75 63.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.663 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -65.68 -36.76 84.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.711 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -57.39 -48.92 77.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.792 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.401 ' H ' HD11 ' A' ' 13' ' ' ILE . 4.0 mp -72.05 -49.14 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.575 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.429 ' C ' ' H ' ' A' ' 16' ' ' HIS . . . -59.65 -55.54 33.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.638 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.28 -5.88 3.79 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.429 ' H ' ' C ' ' A' ' 14' ' ' ALA . 27.3 t-80 -77.94 -46.81 20.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.678 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.5 tp -63.64 -45.98 87.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.525 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.47 -25.59 6.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.679 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.7 t -53.18 -39.53 63.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.693 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.431 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -63.45 -51.12 67.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.546 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.35 -34.21 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.678 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.2 ttp -53.18 -45.86 68.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.303 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -64.76 -29.85 70.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.582 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.3 -61.52 1.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.735 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 pp -154.95 -9.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.596 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 120.09 -1.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.405 ' O ' ' OD1' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.0 t -56.18 -34.05 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.813 0.34 . . . . 0.0 110.513 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 t -70.8 -42.84 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.543 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.463 ' CG ' ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -64.36 -45.93 85.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.518 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.463 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 1.3 mm -52.41 -36.15 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.055 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.471 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -61.74 -32.92 73.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.589 -179.741 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -73.67 -37.07 65.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.02 179.741 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.447 ' N ' ' HD3' ' A' ' 7' ' ' LYS . . . -50.06 -17.72 1.77 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.67 -52.4 57.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 0.0 110.595 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.84 -29.81 68.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.582 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -61.55 -37.39 83.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -58.47 -47.44 84.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.57 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 mp -73.87 -45.67 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.392 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.72 -55.59 21.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.588 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.72 -46.12 95.09 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -56.56 -27.46 57.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.847 0.356 . . . . 0.0 110.725 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.3 tp -68.96 -34.56 75.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.56 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.09 -31.67 69.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.455 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.0 t -56.46 -37.65 70.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.45 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -63.0 -52.75 61.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.409 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 26' ' ' NH2 . 38.5 t -61.67 -34.23 61.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.53 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.436 ' O ' ' SD ' ' A' ' 22' ' ' MET . 0.0 OUTLIER -64.82 -47.54 77.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.764 -179.807 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.489 ' C ' ' ND2' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -58.95 -40.96 86.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.842 -179.654 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -70.95 -63.48 1.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.548 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 pp -164.17 -37.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.733 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' VAL . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.938 -1.726 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.432 ' O ' ' OD1' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.423 ' H ' ' H3 ' ' A' ' 1' ' ' GLY . 17.7 t -52.71 -34.97 20.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.776 0.322 . . . . 0.0 110.584 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.7 t -69.97 -41.65 79.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.592 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -59.07 -44.1 91.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.485 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.413 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 1.3 mm -52.85 -42.95 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.854 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.5 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -67.45 -31.44 71.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.407 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.55 -54.05 23.23 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.661 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.17 -23.57 68.11 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.4 -42.98 64.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.37 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.84 -29.81 69.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.492 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 15' ' ' GLY . 14.3 tptp -59.26 -37.59 77.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.466 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -59.9 -44.95 93.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 mp -77.31 -55.72 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.399 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.03 -42.0 89.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.468 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -52.66 -43.83 59.76 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -63.7 -33.08 74.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 110.59 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.9 tp -69.58 -30.9 68.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.28 96.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.535 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.3 t -56.92 -35.35 68.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.441 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -59.72 -48.75 80.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.333 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.1 t -73.57 -34.24 41.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.619 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.0 ttp -59.7 -47.51 85.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.623 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.477 ' C ' ' ND2' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -54.7 -31.93 58.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.637 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -56.37 4.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.581 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 pp -165.37 -26.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.506 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 119.99 -1.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.3 t -54.05 -33.59 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.532 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.3 t -71.67 -53.49 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.625 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.94 -50.07 75.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.698 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 mm -52.91 -29.12 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.518 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -61.11 -29.86 70.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.733 0.301 . . . . 0.0 110.593 -179.658 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.533 ' HG2' ' N ' ' A' ' 8' ' ' GLY . 25.4 pttt -67.52 -40.59 85.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.172 0.511 . . . . 0.0 110.382 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.533 ' N ' ' HG2' ' A' ' 7' ' ' LYS . . . -43.61 -19.07 0.09 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -64.56 -49.33 71.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.751 0.31 . . . . 0.0 110.511 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.73 -35.76 64.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.535 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -60.72 -36.7 79.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.494 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -57.38 -42.8 82.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.504 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mp -73.87 -53.36 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.375 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.94 -44.92 74.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.518 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.11 -44.36 96.4 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -35.17 50.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.735 0.303 . . . . 0.0 110.319 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tp -65.55 -42.72 91.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.502 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.69 -20.11 31.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.588 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.1 t -53.66 -38.2 63.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.687 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.17 -44.75 79.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.446 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.1 t -69.07 -45.64 79.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.54 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.3 tpt -51.38 -41.74 60.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.196 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -61.54 -42.39 98.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.75 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -56.92 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.703 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 pp -153.51 -29.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.565 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.073 -1.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.499 ' N ' ' OD1' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.82 -33.04 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.74 0.305 . . . . 0.0 110.581 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.25 -53.29 49.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.49 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.514 ' CG ' ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -57.58 -49.86 75.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.412 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.514 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 1.3 mm -52.38 -29.46 12.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.872 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -59.02 -29.53 67.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.264 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.545 ' HG2' ' N ' ' A' ' 8' ' ' GLY . 25.8 pttt -69.79 -39.94 76.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.212 0.53 . . . . 0.0 110.404 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.545 ' N ' ' HG2' ' A' ' 7' ' ' LYS . . . -44.5 -21.64 0.3 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -61.48 -52.26 65.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 110.464 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.0 -29.81 68.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' GLY . 30.9 tttm -61.43 -36.97 81.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.731 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.28 -43.77 92.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.766 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 mp -72.51 -54.47 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.508 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.51 -31.8 73.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.657 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -67.12 -66.78 2.22 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.655 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 1.8 p-80 -55.54 -49.09 73.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.956 0.408 . . . . 0.0 110.374 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.655 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 4.1 tt -49.2 -34.22 14.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.568 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.26 -29.25 61.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.616 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.0 t -59.06 -33.14 70.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.678 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -50.4 73.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.407 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' A' ' 25' ' ' LEU . 76.8 t -60.39 -39.09 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.573 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.3 ttp -59.79 -46.8 88.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.288 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -76.81 -31.56 57.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.53 ' O ' ' C ' ' A' ' 25' ' ' LEU . 3.0 tptp -89.04 -8.46 53.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.046 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER 22.8 48.19 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.305 -179.703 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . 0.486 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 120.049 -1.657 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 t -65.67 -35.76 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.316 . . . . 0.0 110.589 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.5 t -55.84 -53.63 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.549 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.509 ' CG ' ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -60.28 -50.69 72.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.371 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.509 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 1.3 mm -52.64 -29.67 14.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.062 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.796 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -58.71 -29.66 66.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.826 0.346 . . . . 0.0 110.409 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.565 ' HG2' ' N ' ' A' ' 8' ' ' GLY . 7.5 pttp -65.77 -41.71 91.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.155 0.502 . . . . 0.0 110.374 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.565 ' N ' ' HG2' ' A' ' 7' ' ' LYS . . . -63.99 -26.8 70.52 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.66 -52.59 64.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 110.513 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.68 -34.66 62.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.341 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.2 tptp -74.07 -36.95 64.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.359 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -71.37 -54.76 9.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.634 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.415 ' H ' HD12 ' A' ' 13' ' ' ILE . 2.3 mp -58.69 -47.93 87.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.096 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.79 -46.53 74.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.235 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.67 -26.16 64.46 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -60.34 -37.89 82.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.482 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.3 tp -52.42 -43.33 64.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.168 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.05 97.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.434 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.8 t -60.13 -37.25 79.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.514 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.431 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 0.8 OUTLIER -57.57 -37.55 73.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.352 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.84 -34.95 67.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.483 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.6 tpt -61.3 -47.39 86.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.542 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.467 ' ND2' ' C ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -61.35 -31.13 71.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.584 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -75.53 -56.24 4.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.701 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 pp -153.42 -17.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.544 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.02 -1.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.451 ' CA ' ' OD2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 t -52.8 -38.77 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 110.526 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 64.3 t -72.49 -42.38 64.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.634 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.5 ' CG ' ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -64.31 -49.37 72.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.652 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.5 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 1.3 mm -52.48 -29.17 12.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.342 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.76 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -62.07 -29.54 70.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.868 -179.615 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.556 ' HG2' ' N ' ' A' ' 8' ' ' GLY . 28.7 pttt -64.69 -42.04 95.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.088 0.47 . . . . 0.0 110.621 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.556 ' N ' ' HG2' ' A' ' 7' ' ' LYS . . . -51.4 -29.48 23.46 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.15 -52.6 13.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.714 0.293 . . . . 0.0 110.691 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.8 -41.15 88.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.703 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -50.37 -36.77 33.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.636 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -57.55 -44.1 84.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.669 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.438 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.4 mp -75.55 -50.4 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.495 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.27 -45.21 72.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.506 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.89 -37.96 58.92 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -65.34 -48.82 71.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.77 0.319 . . . . 0.0 110.69 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.6 -40.33 91.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.586 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.6 -25.7 28.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.642 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.3 t -53.51 -45.94 69.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.605 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.583 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -58.95 -45.88 89.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.406 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.6 t -70.61 -34.21 56.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.662 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -47.73 82.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.502 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.583 ' ND2' ' O ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -62.91 -29.61 70.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.508 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.48 -54.99 5.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.667 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 pp -154.77 -3.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.563 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 120.058 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.405 ' O ' ' OD2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.356 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.41 ' H ' HG23 ' A' ' 2' ' ' VAL . 9.2 t -52.95 -34.41 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.368 . . . . 0.0 110.662 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.2 t -62.66 -53.4 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.645 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.507 ' CG ' ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -55.72 -48.85 74.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.913 0.387 . . . . 0.0 110.484 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.507 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 1.3 mm -52.24 -28.36 11.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.051 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.75 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -60.71 -29.52 69.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.659 -179.857 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.564 ' HG2' ' H ' ' A' ' 8' ' ' GLY . 32.7 pttt -61.05 -45.08 96.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.103 0.478 . . . . 0.0 110.65 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.564 ' H ' ' HG2' ' A' ' 7' ' ' LYS . . . -45.37 -16.93 0.11 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.457 ' N ' ' C ' ' A' ' 7' ' ' LYS . . . -65.69 -52.57 50.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.739 0.304 . . . . 0.0 110.73 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.71 -35.53 80.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.707 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -58.61 -36.8 74.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.751 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -57.36 -48.11 79.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.407 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.4 mp -77.39 -50.87 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.505 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.18 -30.47 64.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.559 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.07 -41.69 38.33 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.23 -48.44 20.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.764 0.316 . . . . 0.0 110.31 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.8 tp -56.09 -38.97 71.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.46 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.99 -49.84 75.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.424 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.3 t -53.3 -38.99 63.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.498 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.526 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 0.4 OUTLIER -58.58 -48.85 79.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.391 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.9 t -70.08 -34.18 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.539 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.3 ttt -61.43 -47.49 85.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.489 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -61.21 -37.36 82.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.669 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -67.87 -53.33 27.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.626 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 pp -156.32 -27.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.462 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.302 0 O-C-N 119.989 -1.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.7 t -64.71 -31.87 55.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.792 0.33 . . . . 0.0 110.535 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.7 t -59.15 -53.63 45.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.609 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.29 -47.46 85.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.683 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 mm -52.65 -31.08 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.057 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.736 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -58.02 -29.48 65.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.667 -179.723 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.535 ' HG2' ' N ' ' A' ' 8' ' ' GLY . 15.3 pttm -62.55 -42.31 99.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.113 0.482 . . . . 0.0 110.622 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.535 ' N ' ' HG2' ' A' ' 7' ' ' LYS . . . -40.74 -32.45 0.51 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.3 -46.97 88.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 110.588 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.63 -31.43 68.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.615 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -72.36 -37.34 68.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.617 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -61.44 -54.45 43.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.553 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.508 ' H ' HD12 ' A' ' 13' ' ' ILE . 3.3 mp -61.6 -45.61 98.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.344 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.87 -55.73 29.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.599 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.44 -9.36 8.67 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -78.47 -38.0 42.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.65 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.5 tp -65.9 -42.26 90.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.568 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.49 -49.02 56.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.636 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 t -53.35 -41.09 65.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.62 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.35 -54.64 37.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.511 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 25' ' ' LEU . 17.3 t -59.21 -39.52 78.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.661 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.1 ttt -61.51 -47.25 86.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.52 ' O ' HD23 ' A' ' 25' ' ' LEU . 11.6 t30 -75.2 -32.06 61.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.707 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.523 ' O ' ' C ' ' A' ' 25' ' ' LEU . 3.2 tppt? -88.94 -8.41 54.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER 22.71 68.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.399 -179.614 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.985 -1.697 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 t -58.46 -33.5 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.754 0.311 . . . . 0.0 110.597 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.4 t -61.2 -53.28 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.552 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.497 ' CG ' ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -63.18 -49.03 75.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.643 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.497 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 1.3 mm -52.25 -28.58 11.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.256 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.757 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -61.17 -29.49 69.83 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.595 -179.835 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.571 ' HG2' ' N ' ' A' ' 8' ' ' GLY . 24.0 pttt -68.11 -41.53 81.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.092 0.472 . . . . 0.0 110.593 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.571 ' N ' ' HG2' ' A' ' 7' ' ' LYS . . . -61.5 -39.48 97.38 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.47 -47.43 79.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 0.0 110.649 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.61 -29.6 52.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.583 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.5 tttt -72.99 -36.43 67.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.528 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -57.26 -51.81 67.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.588 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.0 mp -73.94 -52.7 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.343 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.2 -37.46 46.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.474 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.86 -30.56 22.27 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.443 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -67.06 -39.45 86.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 0.0 110.417 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.443 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 5.8 tp -49.08 -33.85 12.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.56 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.12 73.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.544 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.5 t -59.98 -44.8 94.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.623 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -59.7 -44.15 93.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.491 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.7 t -63.37 -41.0 91.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.567 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.2 ttt -60.7 -47.62 85.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.459 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.421 ' ND2' ' C ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -63.95 -38.51 91.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.708 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -70.0 -41.42 74.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.677 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 pp -157.71 -38.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.528 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.982 -1.699 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.0 t -64.64 -37.4 80.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.8 -38.46 72.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.545 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -64.14 -48.94 74.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 mm -52.63 -28.38 12.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.221 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.768 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -62.28 -29.64 70.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.814 -179.612 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.581 ' HG2' ' H ' ' A' ' 8' ' ' GLY . 16.6 pttm -59.02 -46.74 87.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.145 0.498 . . . . 0.0 110.707 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.581 ' H ' ' HG2' ' A' ' 7' ' ' LYS . . . -63.78 -22.93 66.82 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.05 -52.5 14.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.753 0.311 . . . . 0.0 110.657 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.8 -29.75 63.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.663 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -65.68 -36.76 84.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.711 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -57.39 -48.92 77.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.792 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.433 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.0 mp -72.05 -49.14 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.575 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.65 -55.54 33.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.638 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.28 -5.88 3.79 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -77.94 -46.81 20.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.678 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.5 tp -63.64 -45.98 87.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.525 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.47 -25.59 6.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.679 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.7 t -53.18 -39.53 63.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.693 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.581 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -63.45 -51.12 67.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.546 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.35 -34.21 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.678 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.2 ttp -53.18 -45.86 68.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.303 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.581 ' ND2' ' O ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -64.76 -29.85 70.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.582 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.3 -61.52 1.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.735 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 pp -154.95 -9.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.596 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 120.09 -1.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.405 ' O ' ' OD1' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.0 t -56.18 -34.05 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.813 0.34 . . . . 0.0 110.513 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 t -70.8 -42.84 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.543 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.463 ' CG ' ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -64.36 -45.93 85.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.518 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.463 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 1.3 mm -52.41 -36.15 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.055 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.666 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -61.74 -32.92 73.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.589 -179.741 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.441 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -73.67 -37.07 65.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.02 179.741 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.441 ' N ' ' HD3' ' A' ' 7' ' ' LYS . . . -50.06 -17.72 1.77 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.67 -52.4 57.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 0.0 110.595 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.84 -29.81 68.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.582 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -61.55 -37.39 83.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -58.47 -47.44 84.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.57 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.46 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.5 mp -73.87 -45.67 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.392 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.72 -55.59 21.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.588 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.72 -46.12 95.09 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -56.56 -27.46 57.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.847 0.356 . . . . 0.0 110.725 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.3 tp -68.96 -34.56 75.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.56 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.09 -31.67 69.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.455 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.0 t -56.46 -37.65 70.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.45 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -63.0 -52.75 61.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.409 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 26' ' ' NH2 . 38.5 t -61.67 -34.23 61.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.53 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.436 ' SD ' ' O ' ' A' ' 22' ' ' MET . 0.0 OUTLIER -64.82 -47.54 77.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.764 -179.807 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.489 ' ND2' ' C ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -58.95 -40.96 86.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.842 -179.654 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -70.95 -63.48 1.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.548 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 pp -164.17 -37.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.733 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' VAL . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.938 -1.726 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.432 ' O ' ' OD1' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.7 t -52.71 -34.97 20.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.776 0.322 . . . . 0.0 110.584 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.7 t -69.97 -41.65 79.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.592 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -59.07 -44.1 91.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.485 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.413 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 1.3 mm -52.85 -42.95 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.854 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.81 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -67.45 -31.44 71.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.407 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.55 -54.05 23.23 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.661 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.17 -23.57 68.11 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.4 -42.98 64.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.37 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.84 -29.81 69.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.492 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 15' ' ' GLY . 14.3 tptp -59.26 -37.59 77.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.466 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -59.9 -44.95 93.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.438 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.5 mp -77.31 -55.72 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.399 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.03 -42.0 89.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.468 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -52.66 -43.83 59.76 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -63.7 -33.08 74.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 110.59 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.9 tp -69.58 -30.9 68.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.28 96.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.535 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.3 t -56.92 -35.35 68.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.592 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -59.72 -48.75 80.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.333 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.1 t -73.57 -34.24 41.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.619 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.0 ttp -59.7 -47.51 85.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.623 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.592 ' ND2' ' O ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -54.7 -31.93 58.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.637 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -56.37 4.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.581 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 pp -165.37 -26.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.506 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 119.99 -1.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.3 t -54.05 -33.59 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.532 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.3 t -71.67 -53.49 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.625 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.94 -50.07 75.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.698 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 mm -52.91 -29.12 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.803 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -61.11 -29.86 70.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.733 0.301 . . . . 0.0 110.593 -179.658 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.56 ' HG2' ' N ' ' A' ' 8' ' ' GLY . 25.4 pttt -67.52 -40.59 85.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.172 0.511 . . . . 0.0 110.382 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.56 ' N ' ' HG2' ' A' ' 7' ' ' LYS . . . -43.61 -19.07 0.09 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -64.56 -49.33 71.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.751 0.31 . . . . 0.0 110.511 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.73 -35.76 64.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.535 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -60.72 -36.7 79.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.494 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -57.38 -42.8 82.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.504 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.423 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.1 mp -73.87 -53.36 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.375 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.94 -44.92 74.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.518 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.11 -44.36 96.4 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -35.17 50.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.735 0.303 . . . . 0.0 110.319 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tp -65.55 -42.72 91.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.502 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.69 -20.11 31.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.588 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.1 t -53.66 -38.2 63.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.687 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.17 -44.75 79.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.446 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.1 t -69.07 -45.64 79.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.54 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.3 tpt -51.38 -41.74 60.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.196 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -61.54 -42.39 98.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.75 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -56.92 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.703 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 pp -153.51 -29.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.565 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.073 -1.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.82 -33.04 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.74 0.305 . . . . 0.0 110.581 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.25 -53.29 49.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.49 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.514 ' CG ' ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -57.58 -49.86 75.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.412 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.514 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 1.3 mm -52.38 -29.46 12.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.872 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.798 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -59.02 -29.53 67.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.264 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.57 ' HG2' ' N ' ' A' ' 8' ' ' GLY . 25.8 pttt -69.79 -39.94 76.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.212 0.53 . . . . 0.0 110.404 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.57 ' N ' ' HG2' ' A' ' 7' ' ' LYS . . . -44.5 -21.64 0.3 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -61.48 -52.26 65.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 110.464 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.0 -29.81 68.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' GLY . 30.9 tttm -61.43 -36.97 81.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.731 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.28 -43.77 92.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.766 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.47 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.3 mp -72.51 -54.47 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.508 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.51 -31.8 73.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.657 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -67.12 -66.78 2.22 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.655 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 1.8 p-80 -55.54 -49.09 73.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.956 0.408 . . . . 0.0 110.374 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.655 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 4.1 tt -49.2 -34.22 14.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.568 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.26 -29.25 61.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.616 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.0 t -59.06 -33.14 70.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.678 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -50.4 73.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.407 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' A' ' 25' ' ' LEU . 76.8 t -60.39 -39.09 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.573 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.3 ttp -59.79 -46.8 88.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.288 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.516 ' O ' HD23 ' A' ' 25' ' ' LEU . 25.2 t30 -76.81 -31.56 57.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.916 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.53 ' O ' ' C ' ' A' ' 25' ' ' LEU . 3.0 tptp -89.04 -8.46 53.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.046 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER 22.8 48.19 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.305 -179.703 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . 0.486 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 120.049 -1.657 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 t -65.67 -35.76 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.316 . . . . 0.0 110.589 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.5 t -55.84 -53.63 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.549 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.509 ' CG ' ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -60.28 -50.69 72.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.371 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.509 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 1.3 mm -52.64 -29.67 14.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.062 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.796 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -58.71 -29.66 66.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.826 0.346 . . . . 0.0 110.409 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.565 ' HG2' ' N ' ' A' ' 8' ' ' GLY . 7.5 pttp -65.77 -41.71 91.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.155 0.502 . . . . 0.0 110.374 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.565 ' N ' ' HG2' ' A' ' 7' ' ' LYS . . . -63.99 -26.8 70.52 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.66 -52.59 64.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 110.513 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.68 -34.66 62.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.341 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.2 tptp -74.07 -36.95 64.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.359 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -71.37 -54.76 9.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.634 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.415 ' H ' HD12 ' A' ' 13' ' ' ILE . 2.3 mp -58.69 -47.93 87.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.096 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.79 -46.53 74.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.235 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.67 -26.16 64.46 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -60.34 -37.89 82.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.482 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.3 tp -52.42 -43.33 64.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.168 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.05 97.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.434 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.8 t -60.13 -37.25 79.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.514 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.431 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 0.8 OUTLIER -57.57 -37.55 73.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.352 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.84 -34.95 67.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.483 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.6 tpt -61.3 -47.39 86.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.542 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.467 ' ND2' ' C ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -61.35 -31.13 71.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.584 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -75.53 -56.24 4.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.701 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 pp -153.42 -17.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.544 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.02 -1.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.451 ' CA ' ' OD2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 t -52.8 -38.77 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 110.526 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 64.3 t -72.49 -42.38 64.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.634 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.5 ' CG ' ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -64.31 -49.37 72.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.652 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.5 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 1.3 mm -52.48 -29.17 12.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.342 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.76 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -62.07 -29.54 70.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.868 -179.615 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.556 ' HG2' ' N ' ' A' ' 8' ' ' GLY . 28.7 pttt -64.69 -42.04 95.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.088 0.47 . . . . 0.0 110.621 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.556 ' N ' ' HG2' ' A' ' 7' ' ' LYS . . . -51.4 -29.48 23.46 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.15 -52.6 13.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.714 0.293 . . . . 0.0 110.691 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.8 -41.15 88.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.703 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -50.37 -36.77 33.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.636 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -57.55 -44.1 84.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.669 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.438 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.4 mp -75.55 -50.4 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.495 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.27 -45.21 72.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.506 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.89 -37.96 58.92 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -65.34 -48.82 71.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.77 0.319 . . . . 0.0 110.69 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.6 -40.33 91.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.586 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.6 -25.7 28.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.642 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.3 t -53.51 -45.94 69.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.605 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.443 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -58.95 -45.88 89.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.406 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.6 t -70.61 -34.21 56.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.662 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -47.73 82.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.502 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -62.91 -29.61 70.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.508 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.48 -54.99 5.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.667 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 pp -154.77 -3.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.563 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 120.058 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.405 ' O ' ' OD2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.356 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.41 ' H ' HG23 ' A' ' 2' ' ' VAL . 9.2 t -52.95 -34.41 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.368 . . . . 0.0 110.662 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.2 t -62.66 -53.4 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.645 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.507 ' CG ' ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -55.72 -48.85 74.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.913 0.387 . . . . 0.0 110.484 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.507 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 1.3 mm -52.24 -28.36 11.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.051 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.75 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -60.71 -29.52 69.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.659 -179.857 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.564 ' HG2' ' H ' ' A' ' 8' ' ' GLY . 32.7 pttt -61.05 -45.08 96.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.103 0.478 . . . . 0.0 110.65 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.564 ' H ' ' HG2' ' A' ' 7' ' ' LYS . . . -45.37 -16.93 0.11 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.457 ' N ' ' C ' ' A' ' 7' ' ' LYS . . . -65.69 -52.57 50.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.739 0.304 . . . . 0.0 110.73 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.71 -35.53 80.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.707 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -58.61 -36.8 74.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.751 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -57.36 -48.11 79.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.407 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.4 mp -77.39 -50.87 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.505 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.18 -30.47 64.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.559 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.07 -41.69 38.33 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.23 -48.44 20.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.764 0.316 . . . . 0.0 110.31 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.8 tp -56.09 -38.97 71.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.46 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.99 -49.84 75.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.424 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.3 t -53.3 -38.99 63.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.498 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.526 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 0.4 OUTLIER -58.58 -48.85 79.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.391 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.9 t -70.08 -34.18 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.539 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.3 ttt -61.43 -47.49 85.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.489 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -61.21 -37.36 82.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.669 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -67.87 -53.33 27.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.626 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 pp -156.32 -27.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.462 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.302 0 O-C-N 119.989 -1.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.7 t -64.71 -31.87 55.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.792 0.33 . . . . 0.0 110.535 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.7 t -59.15 -53.63 45.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.609 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.29 -47.46 85.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.683 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 mm -52.65 -31.08 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.057 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.736 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -58.02 -29.48 65.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.667 -179.723 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.535 ' HG2' ' N ' ' A' ' 8' ' ' GLY . 15.3 pttm -62.55 -42.31 99.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.113 0.482 . . . . 0.0 110.622 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.535 ' N ' ' HG2' ' A' ' 7' ' ' LYS . . . -40.74 -32.45 0.51 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.3 -46.97 88.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 110.588 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.63 -31.43 68.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.615 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -72.36 -37.34 68.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.617 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -61.44 -54.45 43.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.553 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.508 ' H ' HD12 ' A' ' 13' ' ' ILE . 3.3 mp -61.6 -45.61 98.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.344 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.87 -55.73 29.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.599 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.44 -9.36 8.67 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -78.47 -38.0 42.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.65 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.5 tp -65.9 -42.26 90.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.568 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.49 -49.02 56.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.636 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 t -53.35 -41.09 65.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.62 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.35 -54.64 37.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.511 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 25' ' ' LEU . 17.3 t -59.21 -39.52 78.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.661 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.1 ttt -61.51 -47.25 86.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.52 ' O ' HD23 ' A' ' 25' ' ' LEU . 11.6 t30 -75.2 -32.06 61.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.707 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.523 ' O ' ' C ' ' A' ' 25' ' ' LEU . 3.2 tppt? -88.94 -8.41 54.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER 22.71 68.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.399 -179.614 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.985 -1.697 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 t -58.46 -33.5 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.754 0.311 . . . . 0.0 110.597 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.4 t -61.2 -53.28 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.552 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.497 ' CG ' ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -63.18 -49.03 75.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.643 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.497 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 1.3 mm -52.25 -28.58 11.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.256 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.757 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -61.17 -29.49 69.83 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.595 -179.835 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.571 ' HG2' ' N ' ' A' ' 8' ' ' GLY . 24.0 pttt -68.11 -41.53 81.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.092 0.472 . . . . 0.0 110.593 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.571 ' N ' ' HG2' ' A' ' 7' ' ' LYS . . . -61.5 -39.48 97.38 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.47 -47.43 79.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 0.0 110.649 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.61 -29.6 52.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.583 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.5 tttt -72.99 -36.43 67.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.528 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -57.26 -51.81 67.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.588 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.0 mp -73.94 -52.7 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.343 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.2 -37.46 46.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.474 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.86 -30.56 22.27 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.615 ' CD2' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -67.06 -39.45 86.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 0.0 110.417 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.615 ' N ' ' CD2' ' A' ' 16' ' ' HIS . 5.8 tp -49.08 -33.85 12.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.56 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.12 73.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.544 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.5 t -59.98 -44.8 94.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.623 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -59.7 -44.15 93.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.491 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.7 t -63.37 -41.0 91.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.567 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.2 ttt -60.7 -47.62 85.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.459 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.421 ' ND2' ' C ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -63.95 -38.51 91.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.708 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -70.0 -41.42 74.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.677 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 pp -157.71 -38.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.528 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.982 -1.699 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.0 t -64.64 -37.4 80.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.8 -38.46 72.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.545 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -64.14 -48.94 74.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 mm -52.63 -28.38 12.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.221 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.768 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -62.28 -29.64 70.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.814 -179.612 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.581 ' HG2' ' H ' ' A' ' 8' ' ' GLY . 16.6 pttm -59.02 -46.74 87.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.145 0.498 . . . . 0.0 110.707 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.581 ' H ' ' HG2' ' A' ' 7' ' ' LYS . . . -63.78 -22.93 66.82 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.05 -52.5 14.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.753 0.311 . . . . 0.0 110.657 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.8 -29.75 63.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.663 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -65.68 -36.76 84.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.711 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -57.39 -48.92 77.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.792 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.433 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.0 mp -72.05 -49.14 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.575 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.65 -55.54 33.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.638 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.28 -5.88 3.79 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -77.94 -46.81 20.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.678 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.5 tp -63.64 -45.98 87.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.525 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.47 -25.59 6.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.679 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.7 t -53.18 -39.53 63.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.693 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.431 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -63.45 -51.12 67.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.546 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.35 -34.21 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.678 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.2 ttp -53.18 -45.86 68.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.303 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -64.76 -29.85 70.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.582 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.3 -61.52 1.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.735 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 pp -154.95 -9.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.596 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 120.09 -1.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.405 ' O ' ' OD1' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.0 t -56.18 -34.05 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.813 0.34 . . . . 0.0 110.513 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 t -70.8 -42.84 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.543 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.463 ' CG ' ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -64.36 -45.93 85.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.518 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.463 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 1.3 mm -52.41 -36.15 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.055 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.666 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -61.74 -32.92 73.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.589 -179.741 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.441 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -73.67 -37.07 65.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.02 179.741 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.441 ' N ' ' HD3' ' A' ' 7' ' ' LYS . . . -50.06 -17.72 1.77 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.67 -52.4 57.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 0.0 110.595 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.84 -29.81 68.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.582 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -61.55 -37.39 83.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -58.47 -47.44 84.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.57 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.46 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.5 mp -73.87 -45.67 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.392 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.72 -55.59 21.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.588 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.72 -46.12 95.09 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -56.56 -27.46 57.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.847 0.356 . . . . 0.0 110.725 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.3 tp -68.96 -34.56 75.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.56 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.09 -31.67 69.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.455 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.0 t -56.46 -37.65 70.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.45 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -63.0 -52.75 61.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.409 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 26' ' ' NH2 . 38.5 t -61.67 -34.23 61.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.53 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.436 ' SD ' ' O ' ' A' ' 22' ' ' MET . 0.0 OUTLIER -64.82 -47.54 77.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.764 -179.807 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.489 ' ND2' ' C ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -58.95 -40.96 86.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.842 -179.654 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -70.95 -63.48 1.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.548 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 pp -164.17 -37.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.733 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' VAL . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.938 -1.726 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.432 ' O ' ' OD1' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.7 t -52.71 -34.97 20.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.776 0.322 . . . . 0.0 110.584 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.7 t -69.97 -41.65 79.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.592 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -59.07 -44.1 91.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.485 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.413 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 1.3 mm -52.85 -42.95 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.854 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.81 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -67.45 -31.44 71.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.407 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.55 -54.05 23.23 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.661 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.17 -23.57 68.11 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.4 -42.98 64.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.37 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.84 -29.81 69.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.492 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 15' ' ' GLY . 14.3 tptp -59.26 -37.59 77.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.466 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -59.9 -44.95 93.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.438 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.5 mp -77.31 -55.72 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.399 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.03 -42.0 89.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.468 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -52.66 -43.83 59.76 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -63.7 -33.08 74.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 110.59 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.9 tp -69.58 -30.9 68.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.28 96.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.535 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.3 t -56.92 -35.35 68.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.441 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -59.72 -48.75 80.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.333 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.1 t -73.57 -34.24 41.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.619 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.0 ttp -59.7 -47.51 85.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.623 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.477 ' ND2' ' C ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -54.7 -31.93 58.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.637 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -56.37 4.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.581 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 pp -165.37 -26.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.506 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 119.99 -1.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.3 t -54.05 -33.59 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.532 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.3 t -71.67 -53.49 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.625 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.94 -50.07 75.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.698 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 mm -52.91 -29.12 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.803 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -61.11 -29.86 70.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.733 0.301 . . . . 0.0 110.593 -179.658 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.56 ' HG2' ' N ' ' A' ' 8' ' ' GLY . 25.4 pttt -67.52 -40.59 85.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.172 0.511 . . . . 0.0 110.382 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.56 ' N ' ' HG2' ' A' ' 7' ' ' LYS . . . -43.61 -19.07 0.09 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -64.56 -49.33 71.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.751 0.31 . . . . 0.0 110.511 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.73 -35.76 64.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.535 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -60.72 -36.7 79.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.494 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -57.38 -42.8 82.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.504 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.423 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.1 mp -73.87 -53.36 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.375 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.94 -44.92 74.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.518 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.11 -44.36 96.4 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -35.17 50.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.735 0.303 . . . . 0.0 110.319 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tp -65.55 -42.72 91.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.502 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.69 -20.11 31.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.588 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.1 t -53.66 -38.2 63.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.687 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.17 -44.75 79.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.446 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.1 t -69.07 -45.64 79.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.54 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.3 tpt -51.38 -41.74 60.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.196 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -61.54 -42.39 98.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.75 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -56.92 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.703 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 pp -153.51 -29.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.565 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.073 -1.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.82 -33.04 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.74 0.305 . . . . 0.0 110.581 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.25 -53.29 49.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.49 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.514 ' CG ' ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -57.58 -49.86 75.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.412 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.514 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 1.3 mm -52.38 -29.46 12.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.872 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.798 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -59.02 -29.53 67.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.264 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.57 ' HG2' ' N ' ' A' ' 8' ' ' GLY . 25.8 pttt -69.79 -39.94 76.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.212 0.53 . . . . 0.0 110.404 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.57 ' N ' ' HG2' ' A' ' 7' ' ' LYS . . . -44.5 -21.64 0.3 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -61.48 -52.26 65.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 110.464 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.0 -29.81 68.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' GLY . 30.9 tttm -61.43 -36.97 81.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.731 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.28 -43.77 92.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.766 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.47 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.3 mp -72.51 -54.47 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.508 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.51 -31.8 73.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.657 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -67.12 -66.78 2.22 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.655 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 1.8 p-80 -55.54 -49.09 73.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.956 0.408 . . . . 0.0 110.374 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.655 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 4.1 tt -49.2 -34.22 14.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.568 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.26 -29.25 61.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.616 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.0 t -59.06 -33.14 70.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.678 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -50.4 73.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.407 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' A' ' 25' ' ' LEU . 76.8 t -60.39 -39.09 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.573 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.3 ttp -59.79 -46.8 88.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.288 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.516 ' O ' HD23 ' A' ' 25' ' ' LEU . 25.2 t30 -76.81 -31.56 57.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.916 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.53 ' O ' ' C ' ' A' ' 25' ' ' LEU . 3.0 tptp -89.04 -8.46 53.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.046 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER 22.8 48.19 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.305 -179.703 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . 0.486 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 120.049 -1.657 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_