data_5u9s_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 5u9s _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 1.491 2.325 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.3 m -53.3 -28.99 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.793 0.33 . . . . 0.0 110.607 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 t -48.48 -49.34 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.474 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -49.45 -23.58 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.806 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.7 mt -78.01 -27.73 15.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.757 0.313 . . . . 0.0 111.059 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 mt -66.46 -55.59 14.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.355 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.433 ' H ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -58.07 -33.37 68.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.278 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.79 -34.63 52.8 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.96 -30.28 63.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.786 0.327 . . . . 0.0 110.789 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.516 ' O ' ' CD1' ' A' ' 13' ' ' ILE . . . -56.15 -51.95 66.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.094 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.822 ' C ' ' H ' ' A' ' 13' ' ' ILE . 29.8 tttt -80.5 -25.78 38.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.652 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.8 t0 -43.39 -6.2 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.822 ' H ' ' C ' ' A' ' 11' ' ' LYS . 26.4 mt -54.85 -53.76 30.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 114.14 -1.391 . . . . 0.0 109.912 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.16 -45.59 75.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.376 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.55 -31.11 63.36 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 12' ' ' ASP . 54.5 t60 -60.56 -38.02 83.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.746 0.307 . . . . 0.0 110.511 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -44.6 72.68 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.204 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.24 -58.15 9.88 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.27 -36.25 30.56 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -61.85 -52.3 64.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.5 t -72.86 -41.11 60.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.114 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.7 mtt -58.62 -52.17 66.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.068 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -58.53 -39.95 81.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.579 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -64.34 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.54 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.418 ' CD1' ' C ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -67.62 -71.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.386 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.401 0 O-C-N 120.027 -1.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.6 m -65.69 -32.31 57.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.576 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.0 t -55.87 -38.71 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.315 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -57.87 -23.39 52.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.618 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.5 mt -71.06 -27.73 30.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.967 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mt -69.01 -55.76 9.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.348 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -32.51 71.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 110.482 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.88 -38.19 73.19 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.8 -30.41 63.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.606 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.63 -49.01 76.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.441 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.664 ' C ' ' H ' ' A' ' 13' ' ' ILE . 27.8 tttt -75.69 -30.53 59.38 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.084 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -47.04 -10.16 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.664 ' H ' ' C ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -55.93 -55.87 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.392 179.486 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.29 -43.2 67.32 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.397 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.6 -31.07 63.29 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -71.1 -50.18 36.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.69 0.281 . . . . 0.0 110.802 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 pp -69.85 -30.39 67.85 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.625 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.02 -58.73 5.82 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.52 -37.05 37.05 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -59.84 -52.8 63.9 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.2 t -72.93 -42.47 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.028 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.5 mmm -58.83 -51.68 68.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.918 0.39 . . . . 0.0 110.205 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -56.71 -35.01 68.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.753 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -63.2 -56.21 18.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.486 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 tt -63.73 -67.13 0.45 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.686 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 120.022 -1.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.8 p -49.75 -38.33 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.597 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.7 t -55.99 -35.24 40.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.548 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -72.0 -37.38 69.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.604 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.0 mt -73.65 -27.78 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.521 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mt -60.83 -38.78 86.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.303 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -75.86 -29.61 58.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.437 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -64.34 -53.21 37.54 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.56 83.95 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.059 -0.257 . . . . 0.0 110.59 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.509 ' O ' ' CD1' ' A' ' 13' ' ' ILE . . . -57.57 -52.16 66.54 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.691 -0.404 . . . . 0.0 109.957 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.826 ' C ' ' H ' ' A' ' 13' ' ' ILE . 34.0 tttt -80.54 -24.92 38.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.476 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' GLY . 17.2 t0 -43.29 -7.31 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.957 0.884 . . . . 0.0 108.688 179.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.826 ' H ' ' C ' ' A' ' 11' ' ' LYS . 28.5 mt -54.5 -53.69 28.76 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 114.032 -1.44 . . . . 0.0 109.739 178.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.23 -34.71 68.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.34 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.33 -37.57 58.99 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -57.47 -39.1 75.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.804 0.335 . . . . 0.0 110.326 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.81 -36.35 80.25 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.415 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.18 -58.42 8.39 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.0 -34.03 19.86 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -64.96 -51.6 60.88 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.448 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.8 t -72.86 -39.16 58.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.991 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.17 -53.01 62.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -60.33 -34.74 74.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.639 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -59.69 -33.94 72.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.555 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.406 ' CD1' ' C ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -65.46 -70.06 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.48 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.107 -1.621 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.4 m -48.57 -30.54 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.565 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.2 t -55.79 -38.86 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -72.54 -41.68 65.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.549 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.5 mt -68.61 -27.85 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.607 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.86 -46.03 90.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.293 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -67.12 -30.05 69.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.305 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.59 -46.51 18.73 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.95 -30.37 70.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 110.58 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.521 ' O ' ' CD1' ' A' ' 13' ' ' ILE . . . -56.31 -51.81 66.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.069 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.833 ' C ' ' H ' ' A' ' 13' ' ' ILE . 18.1 tttm -80.31 -25.49 39.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.681 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -43.37 -6.93 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.833 ' H ' ' C ' ' A' ' 11' ' ' LYS . 28.7 mt -54.97 -53.78 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 114.1 -1.409 . . . . 0.0 109.858 178.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.78 -33.44 64.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.49 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.46 -31.12 63.57 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -66.47 -49.93 64.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.649 0.261 . . . . 0.0 110.667 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.474 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -62.52 -30.09 71.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.479 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.98 -58.71 5.91 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.96 -33.86 26.38 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -65.67 -50.87 63.35 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.64 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.3 t -72.68 -38.92 59.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.947 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -52.76 63.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.926 0.393 . . . . 0.0 110.191 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -65.41 -34.92 79.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -49.82 -35.1 21.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.555 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -67.26 -69.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.436 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.975 -1.703 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.345 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 p -54.72 -30.56 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 110.586 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.8 t -51.36 -26.1 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.54 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -72.0 -44.46 63.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.521 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.7 mt -64.52 -27.82 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.488 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.2 mt -72.39 -52.84 14.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.3 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -48.97 -30.09 5.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.393 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.56 -57.48 4.57 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.19 -30.45 66.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.647 0.261 . . . . 0.0 110.636 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.523 ' O ' ' CD1' ' A' ' 13' ' ' ILE . . . -58.89 -52.34 66.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.141 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.831 ' C ' ' H ' ' A' ' 13' ' ' ILE . 23.4 tttp -80.59 -25.8 38.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.495 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -43.24 -6.98 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.863 0.84 . . . . 0.0 108.798 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.831 ' H ' ' C ' ' A' ' 11' ' ' LYS . 28.1 mt -54.77 -53.8 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 114.031 -1.44 . . . . 0.0 109.918 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.04 -33.58 11.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.553 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.32 -49.49 20.21 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -60.74 -49.62 76.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.773 0.321 . . . . 0.0 110.443 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.2 tp -61.46 -36.43 80.38 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.818 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.41 -58.3 9.07 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.409 ' HG ' ' N ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -52.39 -35.59 52.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.486 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' N ' ' HG ' ' A' ' 19' ' ' SER . 4.4 mptp? -66.71 -47.91 70.9 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.63 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.4 t -72.65 -39.43 60.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.87 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.04 -53.15 61.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.178 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -30.19 68.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.72 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -61.51 -53.57 54.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.451 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.409 ' C ' ' CD1' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -67.62 -68.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.475 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.995 -1.691 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.33 -36.0 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.523 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.6 p -52.14 -27.74 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.588 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -69.19 -44.79 71.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.539 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.3 -27.66 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.448 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mt -70.59 -24.71 62.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.93 -29.65 58.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.375 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.45 -38.07 92.98 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.33 -32.56 49.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.773 0.32 . . . . 0.0 110.53 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.519 ' O ' ' CD1' ' A' ' 13' ' ' ILE . . . -58.13 -51.98 67.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.047 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.835 ' C ' ' H ' ' A' ' 13' ' ' ILE . 30.7 tttt -80.48 -25.45 38.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.489 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -43.32 -6.98 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.835 ' H ' ' C ' ' A' ' 11' ' ' LYS . 28.2 mt -54.75 -53.64 30.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.111 -1.404 . . . . 0.0 109.811 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.42 -39.71 57.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.415 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.38 -41.62 51.73 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -62.18 -38.45 89.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 110.444 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.39 -38.66 81.55 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.287 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.12 -58.26 9.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.44 ' HG ' ' N ' ' A' ' 20' ' ' LYS . 0.9 OUTLIER -50.04 -35.15 23.89 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.316 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.44 ' N ' ' HG ' ' A' ' 19' ' ' SER . 6.2 mmtt -63.78 -51.86 62.91 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.602 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.7 t -72.69 -39.71 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.04 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.1 mmm -58.82 -52.26 66.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.942 0.401 . . . . 0.0 110.061 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -56.12 -40.22 73.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.526 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -60.06 -41.16 91.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.466 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.404 ' C ' ' CD1' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -66.34 -67.99 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.45 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 120.082 -1.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.8 m -73.08 -32.59 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.738 0.304 . . . . 0.0 110.493 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.7 p -55.05 -25.05 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.477 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -68.75 -49.08 61.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.485 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 95.7 mt -52.98 -27.86 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mt -73.86 -41.1 62.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.209 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -49.04 -30.15 5.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.229 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.61 -43.57 60.08 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.36 -38.38 66.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.757 0.313 . . . . 0.0 110.404 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.51 -47.52 76.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.305 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.642 ' C ' ' H ' ' A' ' 13' ' ' ILE . 26.9 tttt -76.44 -30.76 57.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -46.83 -10.63 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.642 ' H ' ' C ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -56.07 -55.88 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.555 179.366 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.69 -33.09 9.43 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.865 -1.062 . . . . 0.0 110.422 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.18 -38.42 59.13 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -66.15 -49.85 66.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.41 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.2 tp -67.85 -37.46 81.9 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.764 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.02 -57.48 12.89 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.24 -39.05 63.51 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -65.17 -47.01 78.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.823 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.0 t -72.86 -38.36 56.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.987 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -51.37 69.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.221 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -55.36 -39.4 70.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.68 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -58.76 -34.05 70.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.601 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.405 ' CD1' ' C ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -65.24 -71.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.492 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.986 -1.696 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.4 m -68.1 -29.07 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.785 0.326 . . . . 0.0 110.544 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.2 p -58.06 -39.33 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.623 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -72.65 -31.57 65.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.59 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.403 HD12 HG21 ' A' ' 5' ' ' ILE . 87.7 mt -80.37 -27.87 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.622 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mt -73.66 -26.92 60.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.51 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.85 -29.89 58.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.511 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.07 -40.43 93.03 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.84 -30.51 67.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.667 0.27 . . . . 0.0 110.623 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.52 ' O ' ' CD1' ' A' ' 13' ' ' ILE . . . -57.92 -52.25 66.28 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.136 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.829 ' C ' ' H ' ' A' ' 13' ' ' ILE . 18.8 tttm -80.59 -25.63 38.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.604 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -43.43 -6.61 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.836 0.826 . . . . 0.0 108.794 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.829 ' H ' ' C ' ' A' ' 11' ' ' LYS . 27.3 mt -54.82 -53.78 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 114.096 -1.411 . . . . 0.0 109.986 178.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.03 -41.72 71.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.545 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.67 -31.01 63.18 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -64.0 -50.21 69.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.741 0.305 . . . . 0.0 110.87 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.423 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -67.22 -30.09 69.92 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.692 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.05 -58.69 5.94 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.458 ' HG ' ' N ' ' A' ' 20' ' ' LYS . 0.9 OUTLIER -51.05 -35.57 35.28 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.335 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.458 ' N ' ' HG ' ' A' ' 19' ' ' SER . 21.9 mttt -63.86 -51.63 63.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.597 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.1 t -73.01 -39.05 57.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.18 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -50.96 71.87 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.139 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -53.37 -38.95 63.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.708 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -59.31 -40.36 86.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.41 ' C ' ' CD1' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -66.55 -69.23 0.32 Allowed 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.459 179.994 . . . . . . . . 3 3 . 1 . 008 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 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.3 m -46.33 -29.12 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 110.554 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.2 p -58.46 -38.5 70.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.626 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -73.89 -54.15 8.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.519 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.5 mt -47.97 -27.76 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.986 0.422 . . . . 0.0 110.598 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mt -71.63 -52.89 15.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.421 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.97 -30.1 5.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.446 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.0 -40.69 50.88 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.87 -31.07 6.59 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.066 -0.254 . . . . 0.0 110.635 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.511 ' O ' ' CD1' ' A' ' 13' ' ' ILE . . . -58.72 -52.17 66.85 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.058 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.82 ' C ' ' H ' ' A' ' 13' ' ' ILE . 32.7 tttt -80.37 -25.04 39.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.555 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -43.25 -7.19 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.859 0.838 . . . . 0.0 108.743 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.82 ' H ' ' C ' ' A' ' 11' ' ' LYS . 27.8 mt -54.64 -53.68 29.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 114.053 -1.43 . . . . 0.0 109.79 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.16 -37.13 64.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.476 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.78 -30.93 63.04 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -65.78 -50.24 65.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.677 0.275 . . . . 0.0 111.219 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.438 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -63.99 -30.22 71.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.775 -179.761 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.35 -58.55 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.63 -38.45 54.78 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.517 -0.473 . . . . 0.0 109.747 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -62.27 -50.06 73.23 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.777 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.2 t -72.99 -40.0 58.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.139 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -58.23 -50.81 72.24 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -67.26 -41.41 85.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.694 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -59.95 -45.87 91.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.579 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.409 ' C ' ' CD1' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -65.27 -65.79 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.497 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 120.047 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.5 p -70.51 -29.45 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.628 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.7 t -55.67 -28.35 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.578 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -71.02 -30.74 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.468 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.6 mt -75.19 -27.84 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.555 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mt -64.66 -40.98 96.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.368 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -75.8 -29.73 58.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.478 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.47 -36.79 93.61 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.6 -37.34 57.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.628 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.61 -51.72 68.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.33 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.666 ' C ' ' H ' ' A' ' 13' ' ' ILE . 30.2 tttt -74.81 -30.14 61.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -45.71 -12.02 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.666 ' H ' ' C ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -55.93 -56.0 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.46 179.41 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.79 -35.89 61.83 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.733 -1.122 . . . . 0.0 110.547 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.71 -32.77 70.76 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -71.99 -41.7 67.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.386 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.79 -37.71 70.38 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.283 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 -58.42 8.64 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.79 -34.58 19.86 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -52.67 59.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.564 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.0 t -72.7 -39.22 60.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.041 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -53.53 56.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.977 0.417 . . . . 0.0 110.177 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -60.92 -35.44 76.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.666 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -60.13 -34.4 73.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.647 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.402 ' C ' ' CD1' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -65.96 -69.07 0.32 Allowed 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.528 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.956 -1.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.3 m -53.3 -28.99 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.793 0.33 . . . . 0.0 110.607 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 t -48.48 -49.34 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.474 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -49.45 -23.58 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.806 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.7 mt -78.01 -27.73 15.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.757 0.313 . . . . 0.0 111.059 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 mt -66.46 -55.59 14.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.355 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.512 ' CD ' ' H ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -58.07 -33.37 68.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.278 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.79 -34.63 52.8 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.96 -30.28 63.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.786 0.327 . . . . 0.0 110.789 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.565 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -56.15 -51.95 66.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.094 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.791 ' O ' ' N ' ' A' ' 13' ' ' ILE . 29.8 tttt -80.5 -25.78 38.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.652 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.8 t0 -43.39 -6.2 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.791 ' N ' ' O ' ' A' ' 11' ' ' LYS . 26.4 mt -54.85 -53.76 30.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 114.14 -1.391 . . . . 0.0 109.912 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.16 -45.59 75.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.376 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.55 -31.11 63.36 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 12' ' ' ASP . 54.5 t60 -60.56 -38.02 83.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.746 0.307 . . . . 0.0 110.511 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -68.95 -44.6 72.68 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.204 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.24 -58.15 9.88 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.27 -36.25 30.56 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -61.85 -52.3 64.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.5 t -72.86 -41.11 60.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.114 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.7 mtt -58.62 -52.17 66.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.068 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -58.53 -39.95 81.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.579 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -64.34 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.54 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.44 ' C ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -67.62 -71.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.386 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.401 0 O-C-N 120.027 -1.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.6 m -65.69 -32.31 57.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.576 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.0 t -55.87 -38.71 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.315 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -57.87 -23.39 52.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.618 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.5 mt -71.06 -27.73 30.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.967 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mt -69.01 -55.76 9.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.348 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.464 ' CD ' ' H ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -69.38 -32.51 71.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 110.482 179.852 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.88 -38.19 73.19 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.8 -30.41 63.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.606 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.63 -49.01 76.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.441 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.625 ' C ' ' H ' ' A' ' 13' ' ' ILE . 27.8 tttt -75.69 -30.53 59.38 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.084 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -47.04 -10.16 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.625 ' H ' ' C ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -55.93 -55.87 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.392 179.486 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.555 ' N ' HG22 ' A' ' 13' ' ' ILE . . . -53.29 -43.2 67.32 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.6 -31.07 63.29 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -71.1 -50.18 36.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.69 0.281 . . . . 0.0 110.802 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.491 HD12 ' C ' ' A' ' 17' ' ' LEU . 1.5 pp -69.85 -30.39 67.85 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.625 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.02 -58.73 5.82 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.52 -37.05 37.05 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -59.84 -52.8 63.9 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 17' ' ' LEU . 38.2 t -72.93 -42.47 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.028 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.5 mmm -58.83 -51.68 68.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.918 0.39 . . . . 0.0 110.205 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -56.71 -35.01 68.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.753 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -63.2 -56.21 18.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.486 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.5 ' C ' HD23 ' A' ' 25' ' ' LEU . 2.3 tt -63.73 -67.13 0.45 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.686 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 120.022 -1.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 3' ' ' VAL . 7.8 p -49.75 -38.33 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.597 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.433 ' N ' HG13 ' A' ' 2' ' ' VAL . 47.7 t -55.99 -35.24 40.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.548 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -72.0 -37.38 69.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.604 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.0 mt -73.65 -27.78 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.521 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mt -60.83 -38.78 86.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.303 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -75.86 -29.61 58.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.437 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -64.34 -53.21 37.54 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.56 83.95 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.059 -0.257 . . . . 0.0 110.59 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.558 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -57.57 -52.16 66.54 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.691 -0.404 . . . . 0.0 109.957 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.791 ' O ' ' N ' ' A' ' 13' ' ' ILE . 34.0 tttt -80.54 -24.92 38.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.476 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' GLY . 17.2 t0 -43.29 -7.31 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.957 0.884 . . . . 0.0 108.688 179.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.791 ' N ' ' O ' ' A' ' 11' ' ' LYS . 28.5 mt -54.5 -53.69 28.76 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 114.032 -1.44 . . . . 0.0 109.739 178.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.23 -34.71 68.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.34 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.33 -37.57 58.99 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -57.47 -39.1 75.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.804 0.335 . . . . 0.0 110.326 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.558 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -67.81 -36.35 80.25 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.415 179.764 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.18 -58.42 8.39 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.0 -34.03 19.86 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -64.96 -51.6 60.88 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.448 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.8 t -72.86 -39.16 58.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.991 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.17 -53.01 62.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -60.33 -34.74 74.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.639 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -59.69 -33.94 72.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.555 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.434 ' C ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -65.46 -70.06 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.48 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.107 -1.621 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.4 m -48.57 -30.54 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.565 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.2 t -55.79 -38.86 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -72.54 -41.68 65.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.549 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.5 mt -68.61 -27.85 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.607 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.86 -46.03 90.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.293 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -67.12 -30.05 69.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.305 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.59 -46.51 18.73 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.95 -30.37 70.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 110.58 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.557 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -56.31 -51.81 66.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.069 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.797 ' C ' ' H ' ' A' ' 13' ' ' ILE . 18.1 tttm -80.31 -25.49 39.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.681 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -43.37 -6.93 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.797 ' H ' ' C ' ' A' ' 11' ' ' LYS . 28.7 mt -54.97 -53.78 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 114.1 -1.409 . . . . 0.0 109.858 178.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.78 -33.44 64.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.49 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.46 -31.12 63.57 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -66.47 -49.93 64.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.649 0.261 . . . . 0.0 110.667 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.704 HD12 ' C ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -62.52 -30.09 71.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.479 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.98 -58.71 5.91 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.96 -33.86 26.38 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -65.67 -50.87 63.35 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.64 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 17' ' ' LEU . 49.3 t -72.68 -38.92 59.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.947 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -52.76 63.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.926 0.393 . . . . 0.0 110.191 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -65.41 -34.92 79.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -49.82 -35.1 21.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.555 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.428 ' C ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -67.26 -69.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.436 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.975 -1.703 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.345 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 p -54.72 -30.56 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 110.586 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.8 t -51.36 -26.1 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.54 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -72.0 -44.46 63.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.521 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.7 mt -64.52 -27.82 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.488 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.2 mt -72.39 -52.84 14.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.3 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -48.97 -30.09 5.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.393 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.56 -57.48 4.57 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.19 -30.45 66.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.647 0.261 . . . . 0.0 110.636 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.569 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -58.89 -52.34 66.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.141 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.797 ' C ' ' H ' ' A' ' 13' ' ' ILE . 23.4 tttp -80.59 -25.8 38.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.495 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -43.24 -6.98 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.863 0.84 . . . . 0.0 108.798 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.797 ' H ' ' C ' ' A' ' 11' ' ' LYS . 28.1 mt -54.77 -53.8 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 114.031 -1.44 . . . . 0.0 109.918 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.04 -33.58 11.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.553 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.32 -49.49 20.21 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -60.74 -49.62 76.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.773 0.321 . . . . 0.0 110.443 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 21' ' ' VAL . 21.2 tp -61.46 -36.43 80.38 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.818 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.41 -58.3 9.07 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.39 -35.59 52.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -66.71 -47.91 70.9 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.63 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 17' ' ' LEU . 57.4 t -72.65 -39.43 60.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.87 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.04 -53.15 61.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.178 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -30.19 68.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.72 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -61.51 -53.57 54.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.451 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.439 ' C ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -67.62 -68.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.475 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.995 -1.691 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.33 -36.0 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.523 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.6 p -52.14 -27.74 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.588 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -69.19 -44.79 71.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.539 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.3 -27.66 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.448 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mt -70.59 -24.71 62.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.93 -29.65 58.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.375 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.45 -38.07 92.98 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.33 -32.56 49.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.773 0.32 . . . . 0.0 110.53 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.558 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -58.13 -51.98 67.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.047 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.817 ' C ' ' H ' ' A' ' 13' ' ' ILE . 30.7 tttt -80.48 -25.45 38.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.489 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -43.32 -6.98 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.817 ' H ' ' C ' ' A' ' 11' ' ' LYS . 28.2 mt -54.75 -53.64 30.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.111 -1.404 . . . . 0.0 109.811 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.42 -39.71 57.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.415 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.38 -41.62 51.73 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -62.18 -38.45 89.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 110.444 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -68.39 -38.66 81.55 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.287 179.783 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.12 -58.26 9.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.04 -35.15 23.89 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.316 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -63.78 -51.86 62.91 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.602 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.7 t -72.69 -39.71 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.04 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.1 mmm -58.82 -52.26 66.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.942 0.401 . . . . 0.0 110.061 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -56.12 -40.22 73.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.526 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -60.06 -41.16 91.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.466 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.439 ' C ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -66.34 -67.99 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.45 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 120.082 -1.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.8 m -73.08 -32.59 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.738 0.304 . . . . 0.0 110.493 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.7 p -55.05 -25.05 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.477 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -68.75 -49.08 61.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.485 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 95.7 mt -52.98 -27.86 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mt -73.86 -41.1 62.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.209 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -49.04 -30.15 5.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.229 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.61 -43.57 60.08 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.36 -38.38 66.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.757 0.313 . . . . 0.0 110.404 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.51 -47.52 76.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.305 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.633 ' C ' ' H ' ' A' ' 13' ' ' ILE . 26.9 tttt -76.44 -30.76 57.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -46.83 -10.63 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.633 ' H ' ' C ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -56.07 -55.88 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.555 179.366 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.556 ' N ' HG22 ' A' ' 13' ' ' ILE . . . -48.69 -33.09 9.43 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.865 -1.062 . . . . 0.0 110.422 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.18 -38.42 59.13 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -66.15 -49.85 66.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.41 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.561 ' O ' HG23 ' A' ' 21' ' ' VAL . 10.2 tp -67.85 -37.46 81.9 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.764 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.02 -57.48 12.89 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.24 -39.05 63.51 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -65.17 -47.01 78.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.823 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 17' ' ' LEU . 58.0 t -72.86 -38.36 56.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.987 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -51.37 69.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.221 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -55.36 -39.4 70.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.68 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -58.76 -34.05 70.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.601 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.425 ' C ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -65.24 -71.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.492 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.986 -1.696 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.4 m -68.1 -29.07 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.785 0.326 . . . . 0.0 110.544 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.451 HG13 ' N ' ' A' ' 4' ' ' ASP . 9.2 p -58.06 -39.33 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.623 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.451 ' N ' HG13 ' A' ' 3' ' ' VAL . 15.4 t0 -72.65 -31.57 65.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.59 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 87.7 mt -80.37 -27.87 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.622 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mt -73.66 -26.92 60.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.51 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.85 -29.89 58.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.511 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.07 -40.43 93.03 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.84 -30.51 67.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.667 0.27 . . . . 0.0 110.623 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.568 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -57.92 -52.25 66.28 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.136 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.796 ' C ' ' H ' ' A' ' 13' ' ' ILE . 18.8 tttm -80.59 -25.63 38.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.604 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -43.43 -6.61 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.836 0.826 . . . . 0.0 108.794 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.796 ' H ' ' C ' ' A' ' 11' ' ' LYS . 27.3 mt -54.82 -53.78 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 114.096 -1.411 . . . . 0.0 109.986 178.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.03 -41.72 71.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.545 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.67 -31.01 63.18 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -64.0 -50.21 69.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.741 0.305 . . . . 0.0 110.87 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.61 HD12 ' C ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -67.22 -30.09 69.92 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.692 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.05 -58.69 5.94 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.05 -35.57 35.28 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -63.86 -51.63 63.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.597 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 17' ' ' LEU . 46.1 t -73.01 -39.05 57.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.18 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -50.96 71.87 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.139 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -53.37 -38.95 63.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.708 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -59.31 -40.36 86.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.427 ' C ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -66.55 -69.23 0.32 Allowed 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.459 179.994 . . . . . . . . 3 3 . 1 . 008 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 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.3 m -46.33 -29.12 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 110.554 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.445 HG13 ' N ' ' A' ' 4' ' ' ASP . 9.2 p -58.46 -38.5 70.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.626 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.445 ' N ' HG13 ' A' ' 3' ' ' VAL . 43.7 t0 -73.89 -54.15 8.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.519 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.5 mt -47.97 -27.76 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.986 0.422 . . . . 0.0 110.598 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mt -71.63 -52.89 15.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.421 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.97 -30.1 5.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.446 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.0 -40.69 50.88 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.87 -31.07 6.59 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.066 -0.254 . . . . 0.0 110.635 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.558 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -58.72 -52.17 66.85 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.058 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.807 ' C ' ' H ' ' A' ' 13' ' ' ILE . 32.7 tttt -80.37 -25.04 39.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.555 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -43.25 -7.19 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.859 0.838 . . . . 0.0 108.743 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.807 ' H ' ' C ' ' A' ' 11' ' ' LYS . 27.8 mt -54.64 -53.68 29.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 114.053 -1.43 . . . . 0.0 109.79 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.16 -37.13 64.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.476 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.78 -30.93 63.04 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -65.78 -50.24 65.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.677 0.275 . . . . 0.0 111.219 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.658 HD12 ' C ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -63.99 -30.22 71.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.775 -179.761 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.35 -58.55 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.63 -38.45 54.78 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.517 -0.473 . . . . 0.0 109.747 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -62.27 -50.06 73.23 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.777 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 17' ' ' LEU . 61.2 t -72.99 -40.0 58.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.139 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -58.23 -50.81 72.24 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -67.26 -41.41 85.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.694 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -59.95 -45.87 91.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.579 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.428 ' C ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -65.27 -65.79 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.497 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 120.047 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.5 p -70.51 -29.45 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.628 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.7 t -55.67 -28.35 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.578 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -71.02 -30.74 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.468 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.6 mt -75.19 -27.84 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.555 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mt -64.66 -40.98 96.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.368 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -75.8 -29.73 58.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.478 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.47 -36.79 93.61 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.6 -37.34 57.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.628 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.61 -51.72 68.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.33 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.618 ' C ' ' H ' ' A' ' 13' ' ' ILE . 30.2 tttt -74.81 -30.14 61.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -45.71 -12.02 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.618 ' H ' ' C ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -55.93 -56.0 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.46 179.41 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.541 ' N ' HG22 ' A' ' 13' ' ' ILE . . . -53.79 -35.89 61.83 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.733 -1.122 . . . . 0.0 110.547 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.71 -32.77 70.76 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -71.99 -41.7 67.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.386 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -71.79 -37.71 70.38 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.283 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 -58.42 8.64 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.79 -34.58 19.86 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -52.67 59.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.564 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.0 t -72.7 -39.22 60.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.041 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -53.53 56.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.977 0.417 . . . . 0.0 110.177 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -60.92 -35.44 76.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.666 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -60.13 -34.4 73.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.647 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.424 ' C ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -65.96 -69.07 0.32 Allowed 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.528 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.956 -1.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.3 m -53.3 -28.99 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.793 0.33 . . . . 0.0 110.607 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 t -48.48 -49.34 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.474 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -49.45 -23.58 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.806 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.7 mt -78.01 -27.73 15.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.757 0.313 . . . . 0.0 111.059 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 mt -66.46 -55.59 14.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.355 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.512 ' CD ' ' H ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -58.07 -33.37 68.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.278 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.79 -34.63 52.8 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.96 -30.28 63.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.786 0.327 . . . . 0.0 110.789 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.565 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -56.15 -51.95 66.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.094 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.791 ' O ' ' N ' ' A' ' 13' ' ' ILE . 29.8 tttt -80.5 -25.78 38.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.652 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 16' ' ' HIS . 16.8 t0 -43.39 -6.2 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.791 ' N ' ' O ' ' A' ' 11' ' ' LYS . 26.4 mt -54.85 -53.76 30.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 114.14 -1.391 . . . . 0.0 109.912 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.16 -45.59 75.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.376 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.55 -31.11 63.36 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 12' ' ' ASP . 54.5 t60 -60.56 -38.02 83.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.746 0.307 . . . . 0.0 110.511 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -68.95 -44.6 72.68 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.204 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.24 -58.15 9.88 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.27 -36.25 30.56 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -61.85 -52.3 64.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.5 t -72.86 -41.11 60.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.114 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.7 mtt -58.62 -52.17 66.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.068 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -58.53 -39.95 81.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.579 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -64.34 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.54 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.44 ' C ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -67.62 -71.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.386 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.401 0 O-C-N 120.027 -1.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.6 m -65.69 -32.31 57.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.576 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.0 t -55.87 -38.71 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.315 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -57.87 -23.39 52.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.618 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.5 mt -71.06 -27.73 30.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.967 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mt -69.01 -55.76 9.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.348 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.464 ' CD ' ' H ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -69.38 -32.51 71.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 110.482 179.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.88 -38.19 73.19 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.8 -30.41 63.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.606 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.63 -49.01 76.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.441 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.625 ' C ' ' H ' ' A' ' 13' ' ' ILE . 27.8 tttt -75.69 -30.53 59.38 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.084 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -47.04 -10.16 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.625 ' H ' ' C ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -55.93 -55.87 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.392 179.486 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.555 ' N ' HG22 ' A' ' 13' ' ' ILE . . . -53.29 -43.2 67.32 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.6 -31.07 63.29 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -71.1 -50.18 36.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.69 0.281 . . . . 0.0 110.802 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.491 HD12 ' C ' ' A' ' 17' ' ' LEU . 1.5 pp -69.85 -30.39 67.85 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.625 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.02 -58.73 5.82 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.52 -37.05 37.05 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -59.84 -52.8 63.9 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 17' ' ' LEU . 38.2 t -72.93 -42.47 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.028 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.5 mmm -58.83 -51.68 68.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.918 0.39 . . . . 0.0 110.205 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -56.71 -35.01 68.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.753 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -63.2 -56.21 18.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.486 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.5 ' C ' HD23 ' A' ' 25' ' ' LEU . 2.3 tt -63.73 -67.13 0.45 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.686 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 120.022 -1.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 3' ' ' VAL . 7.8 p -49.75 -38.33 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.597 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.433 ' N ' HG13 ' A' ' 2' ' ' VAL . 47.7 t -55.99 -35.24 40.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.548 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -72.0 -37.38 69.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.604 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.0 mt -73.65 -27.78 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.521 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mt -60.83 -38.78 86.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.303 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -75.86 -29.61 58.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.437 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -64.34 -53.21 37.54 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.56 83.95 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.059 -0.257 . . . . 0.0 110.59 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.558 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -57.57 -52.16 66.54 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.691 -0.404 . . . . 0.0 109.957 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.791 ' O ' ' N ' ' A' ' 13' ' ' ILE . 34.0 tttt -80.54 -24.92 38.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.476 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' GLY . 17.2 t0 -43.29 -7.31 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.957 0.884 . . . . 0.0 108.688 179.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.791 ' N ' ' O ' ' A' ' 11' ' ' LYS . 28.5 mt -54.5 -53.69 28.76 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 114.032 -1.44 . . . . 0.0 109.739 178.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.23 -34.71 68.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.34 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.33 -37.57 58.99 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -57.47 -39.1 75.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.804 0.335 . . . . 0.0 110.326 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.558 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -67.81 -36.35 80.25 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.415 179.764 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.18 -58.42 8.39 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.0 -34.03 19.86 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -64.96 -51.6 60.88 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.448 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.8 t -72.86 -39.16 58.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.991 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.17 -53.01 62.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -60.33 -34.74 74.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.639 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -59.69 -33.94 72.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.555 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.434 ' C ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -65.46 -70.06 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.48 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.107 -1.621 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.4 m -48.57 -30.54 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.565 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.2 t -55.79 -38.86 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -72.54 -41.68 65.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.549 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.5 mt -68.61 -27.85 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.607 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.86 -46.03 90.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.293 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -67.12 -30.05 69.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.305 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.59 -46.51 18.73 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.95 -30.37 70.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 110.58 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.557 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -56.31 -51.81 66.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.069 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.797 ' C ' ' H ' ' A' ' 13' ' ' ILE . 18.1 tttm -80.31 -25.49 39.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.681 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -43.37 -6.93 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.797 ' H ' ' C ' ' A' ' 11' ' ' LYS . 28.7 mt -54.97 -53.78 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 114.1 -1.409 . . . . 0.0 109.858 178.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.78 -33.44 64.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.49 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.46 -31.12 63.57 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -66.47 -49.93 64.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.649 0.261 . . . . 0.0 110.667 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.704 HD12 ' C ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -62.52 -30.09 71.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.479 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.98 -58.71 5.91 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.96 -33.86 26.38 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -65.67 -50.87 63.35 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.64 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 17' ' ' LEU . 49.3 t -72.68 -38.92 59.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.947 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -52.76 63.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.926 0.393 . . . . 0.0 110.191 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -65.41 -34.92 79.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -49.82 -35.1 21.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.555 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.428 ' C ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -67.26 -69.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.436 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.975 -1.703 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.345 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 p -54.72 -30.56 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 110.586 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.8 t -51.36 -26.1 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.54 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -72.0 -44.46 63.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.521 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.7 mt -64.52 -27.82 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.488 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.2 mt -72.39 -52.84 14.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.3 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -48.97 -30.09 5.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.393 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.56 -57.48 4.57 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.19 -30.45 66.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.647 0.261 . . . . 0.0 110.636 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.569 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -58.89 -52.34 66.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.141 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.797 ' C ' ' H ' ' A' ' 13' ' ' ILE . 23.4 tttp -80.59 -25.8 38.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.495 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -43.24 -6.98 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.863 0.84 . . . . 0.0 108.798 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.797 ' H ' ' C ' ' A' ' 11' ' ' LYS . 28.1 mt -54.77 -53.8 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 114.031 -1.44 . . . . 0.0 109.918 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.04 -33.58 11.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.553 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.32 -49.49 20.21 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -60.74 -49.62 76.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.773 0.321 . . . . 0.0 110.443 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 21' ' ' VAL . 21.2 tp -61.46 -36.43 80.38 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.818 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.41 -58.3 9.07 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.39 -35.59 52.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -66.71 -47.91 70.9 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.63 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 17' ' ' LEU . 57.4 t -72.65 -39.43 60.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.87 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.04 -53.15 61.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.178 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -30.19 68.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.72 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -61.51 -53.57 54.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.451 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.439 ' C ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -67.62 -68.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.475 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.995 -1.691 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.33 -36.0 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.523 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.6 p -52.14 -27.74 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.588 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -69.19 -44.79 71.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.539 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.3 -27.66 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.448 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mt -70.59 -24.71 62.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.93 -29.65 58.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.375 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.45 -38.07 92.98 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.33 -32.56 49.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.773 0.32 . . . . 0.0 110.53 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.558 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -58.13 -51.98 67.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.047 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.817 ' C ' ' H ' ' A' ' 13' ' ' ILE . 30.7 tttt -80.48 -25.45 38.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.489 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -43.32 -6.98 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.817 ' H ' ' C ' ' A' ' 11' ' ' LYS . 28.2 mt -54.75 -53.64 30.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.111 -1.404 . . . . 0.0 109.811 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.42 -39.71 57.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.415 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.38 -41.62 51.73 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -62.18 -38.45 89.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 110.444 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -68.39 -38.66 81.55 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.287 179.783 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.12 -58.26 9.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.04 -35.15 23.89 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -63.78 -51.86 62.91 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.602 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.7 t -72.69 -39.71 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.04 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.1 mmm -58.82 -52.26 66.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.942 0.401 . . . . 0.0 110.061 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -56.12 -40.22 73.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.526 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -60.06 -41.16 91.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.466 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.439 ' C ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -66.34 -67.99 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.45 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 120.082 -1.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.8 m -73.08 -32.59 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.738 0.304 . . . . 0.0 110.493 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.7 p -55.05 -25.05 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.477 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -68.75 -49.08 61.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.485 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 95.7 mt -52.98 -27.86 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mt -73.86 -41.1 62.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.209 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -49.04 -30.15 5.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.229 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.61 -43.57 60.08 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.36 -38.38 66.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.757 0.313 . . . . 0.0 110.404 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.51 -47.52 76.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.305 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.633 ' C ' ' H ' ' A' ' 13' ' ' ILE . 26.9 tttt -76.44 -30.76 57.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -46.83 -10.63 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.633 ' H ' ' C ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -56.07 -55.88 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.555 179.366 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.556 ' N ' HG22 ' A' ' 13' ' ' ILE . . . -48.69 -33.09 9.43 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.865 -1.062 . . . . 0.0 110.422 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.18 -38.42 59.13 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -66.15 -49.85 66.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.41 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.561 ' O ' HG23 ' A' ' 21' ' ' VAL . 10.2 tp -67.85 -37.46 81.9 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.764 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.02 -57.48 12.89 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.24 -39.05 63.51 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -65.17 -47.01 78.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.823 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 17' ' ' LEU . 58.0 t -72.86 -38.36 56.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.987 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -51.37 69.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.221 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -55.36 -39.4 70.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.68 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -58.76 -34.05 70.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.601 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.425 ' C ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -65.24 -71.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.492 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.986 -1.696 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.4 m -68.1 -29.07 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.785 0.326 . . . . 0.0 110.544 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.451 HG13 ' N ' ' A' ' 4' ' ' ASP . 9.2 p -58.06 -39.33 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.623 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.451 ' N ' HG13 ' A' ' 3' ' ' VAL . 15.4 t0 -72.65 -31.57 65.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.59 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 87.7 mt -80.37 -27.87 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.622 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mt -73.66 -26.92 60.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.51 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.85 -29.89 58.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.511 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.07 -40.43 93.03 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.84 -30.51 67.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.667 0.27 . . . . 0.0 110.623 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.568 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -57.92 -52.25 66.28 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.136 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.796 ' C ' ' H ' ' A' ' 13' ' ' ILE . 18.8 tttm -80.59 -25.63 38.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.604 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -43.43 -6.61 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.836 0.826 . . . . 0.0 108.794 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.796 ' H ' ' C ' ' A' ' 11' ' ' LYS . 27.3 mt -54.82 -53.78 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 114.096 -1.411 . . . . 0.0 109.986 178.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.03 -41.72 71.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.545 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.67 -31.01 63.18 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -64.0 -50.21 69.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.741 0.305 . . . . 0.0 110.87 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.61 HD12 ' C ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -67.22 -30.09 69.92 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.692 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.05 -58.69 5.94 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.05 -35.57 35.28 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -63.86 -51.63 63.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.597 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 17' ' ' LEU . 46.1 t -73.01 -39.05 57.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.18 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -50.96 71.87 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.139 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -53.37 -38.95 63.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.708 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -59.31 -40.36 86.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.427 ' C ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -66.55 -69.23 0.32 Allowed 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.459 179.994 . . . . . . . . 3 3 . 1 . 008 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 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.3 m -46.33 -29.12 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 110.554 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.445 HG13 ' N ' ' A' ' 4' ' ' ASP . 9.2 p -58.46 -38.5 70.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.626 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.445 ' N ' HG13 ' A' ' 3' ' ' VAL . 43.7 t0 -73.89 -54.15 8.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.519 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.5 mt -47.97 -27.76 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.986 0.422 . . . . 0.0 110.598 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mt -71.63 -52.89 15.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.421 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.97 -30.1 5.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.446 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.0 -40.69 50.88 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.87 -31.07 6.59 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.066 -0.254 . . . . 0.0 110.635 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.558 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -58.72 -52.17 66.85 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.058 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.807 ' C ' ' H ' ' A' ' 13' ' ' ILE . 32.7 tttt -80.37 -25.04 39.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.555 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -43.25 -7.19 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.859 0.838 . . . . 0.0 108.743 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.807 ' H ' ' C ' ' A' ' 11' ' ' LYS . 27.8 mt -54.64 -53.68 29.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 114.053 -1.43 . . . . 0.0 109.79 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.16 -37.13 64.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.476 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.78 -30.93 63.04 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -65.78 -50.24 65.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.677 0.275 . . . . 0.0 111.219 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.658 HD12 ' C ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -63.99 -30.22 71.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.775 -179.761 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.35 -58.55 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.63 -38.45 54.78 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.517 -0.473 . . . . 0.0 109.747 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -62.27 -50.06 73.23 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.777 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 17' ' ' LEU . 61.2 t -72.99 -40.0 58.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.139 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -58.23 -50.81 72.24 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -67.26 -41.41 85.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.694 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -59.95 -45.87 91.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.579 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.428 ' C ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -65.27 -65.79 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.497 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 120.047 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.5 p -70.51 -29.45 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.628 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.7 t -55.67 -28.35 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.578 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -71.02 -30.74 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.468 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.6 mt -75.19 -27.84 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.555 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mt -64.66 -40.98 96.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.368 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -75.8 -29.73 58.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.478 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.47 -36.79 93.61 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.6 -37.34 57.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.628 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.61 -51.72 68.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.33 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.618 ' C ' ' H ' ' A' ' 13' ' ' ILE . 30.2 tttt -74.81 -30.14 61.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -45.71 -12.02 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.618 ' H ' ' C ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -55.93 -56.0 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.46 179.41 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.541 ' N ' HG22 ' A' ' 13' ' ' ILE . . . -53.79 -35.89 61.83 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.733 -1.122 . . . . 0.0 110.547 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.71 -32.77 70.76 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -71.99 -41.7 67.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.386 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -71.79 -37.71 70.38 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.283 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 -58.42 8.64 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.79 -34.58 19.86 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -52.67 59.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.564 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.0 t -72.7 -39.22 60.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.041 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -53.53 56.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.977 0.417 . . . . 0.0 110.177 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -60.92 -35.44 76.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.666 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -60.13 -34.4 73.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.647 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.424 ' C ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -65.96 -69.07 0.32 Allowed 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.528 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.956 -1.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_