data_1f0g_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 1f0g _Structure_validation_residue.Date_analyzed 2016-10-06 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' ' ' LYS . . . . . . . . . . . . . 5.1 mttp . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.264 0.554 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 179.59 86.37 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.354 -0.841 . . . . 0.0 110.049 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 2.0 pttp -135.37 56.86 1.82 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.256 -0.903 . . . . 0.0 110.451 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.24 24.63 10.84 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.115 -0.991 . . . . 0.0 110.267 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -25.97 68.12 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.282 -0.886 . . . . 0.0 109.777 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.86 -7.14 59.29 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.799 -0.563 . . . . 0.0 110.635 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.13 2.58 20.34 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.165 -0.959 . . . . 0.0 110.052 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.3 mt -88.7 -2.19 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.289 -0.882 . . . . 0.0 110.366 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.21 61.6 0.31 Allowed Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.466 ' O ' HG22 ' A' ' 10' ' ' ILE . 4.0 mt -85.71 21.78 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.899 0 O-C-N 121.885 -0.773 . . . . 0.0 109.936 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.32 -17.33 66.94 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.38 -17.74 35.8 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.426 -1.043 . . . . 0.0 109.937 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.74 -34.94 69.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.427 -0.796 . . . . 0.0 109.423 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.26 -15.7 62.44 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -73.34 -38.78 65.64 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.868 0.842 . . . . 0.0 109.188 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 t -55.32 -20.59 11.98 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-O 121.759 0.79 . . . . 0.0 109.248 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.1 -16.09 32.33 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.696 0.76 . . . . 0.0 109.107 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' O ' ' NZ ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -83.76 -4.98 59.07 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.509 0.671 . . . . 0.0 109.472 179.018 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 3.3 tptp -119.54 -3.11 10.41 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.563 -0.711 . . . . 0.0 109.997 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.02 -34.55 0.73 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.315 -0.866 . . . . 0.0 109.322 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.064 -1.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.229 0.538 . . . . 0.0 110.166 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.407 ' O ' ' O ' ' A' ' 1' ' ' LYS . 0.2 OUTLIER 62.83 125.53 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.229 -0.919 . . . . 0.0 109.962 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.57 41.32 3.02 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.165 -0.959 . . . . 0.0 110.25 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.31 23.69 11.14 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.256 -0.903 . . . . 0.0 109.903 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.51 -27.9 64.91 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.401 -0.812 . . . . 0.0 110.26 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.423 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 7.5 ttpp -74.45 -23.44 58.9 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.51 0.671 . . . . 0.0 110.082 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.2 3.89 41.01 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.432 -0.793 . . . . 0.0 110.591 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.413 ' O ' HG22 ' A' ' 8' ' ' ILE . 12.3 mt -90.31 -19.27 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.189 -0.944 . . . . 0.0 110.783 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.5 -16.81 2.05 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.459 ' O ' HG22 ' A' ' 10' ' ' ILE . 2.6 mp -89.93 42.06 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.298 -1.119 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.68 -17.4 54.61 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 109.209 -1.556 . . . . 0.0 109.209 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.26 -28.82 25.1 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.403 -1.057 . . . . 0.0 110.112 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.412 ' HB2' HG22 ' A' ' 10' ' ' ILE . 23.1 m-85 -70.85 -39.92 72.67 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.716 0.77 . . . . 0.0 109.513 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mp -72.92 -21.46 60.89 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -82.92 -42.73 17.33 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 122.098 0.952 . . . . 0.0 108.781 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.2 t -70.42 -5.37 27.95 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.621 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.5 -36.26 8.03 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.747 0.784 . . . . 0.0 109.628 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.53 -0.55 38.09 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.452 0.644 . . . . 0.0 109.659 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.62 4.91 3.95 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.428 -0.795 . . . . 0.0 109.824 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -156.5 -40.16 0.08 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.356 -0.84 . . . . 0.0 109.656 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.939 -1.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.224 0.535 . . . . 0.0 110.15 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 mp 49.22 81.84 0.05 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.246 -0.909 . . . . 0.0 109.684 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.81 61.16 1.42 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.314 -0.866 . . . . 0.0 110.604 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp -113.06 13.64 19.43 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.235 -0.915 . . . . 0.0 109.775 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.76 -19.87 60.66 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.806 0.812 . . . . 0.0 109.02 178.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -73.63 -20.05 60.69 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.541 0.686 . . . . 0.0 109.639 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -71.32 -10.99 60.65 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.439 -0.788 . . . . 0.0 109.906 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.0 mt -64.1 -70.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.367 -0.833 . . . . 0.0 109.923 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.15 24.39 31.93 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.52 ' CG2' ' O ' ' A' ' 10' ' ' ILE . 79.8 mt -102.13 17.42 4.26 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 O-C-N 121.424 -1.044 . . . . 0.0 110.332 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.12 -16.25 80.69 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.409 -1.476 . . . . 0.0 109.409 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -86.18 -15.63 40.33 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.433 -1.039 . . . . 0.0 109.614 179.502 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.415 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 2.4 t80 -69.87 -42.65 73.2 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.99 0.9 . . . . 0.0 109.005 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.423 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -56.19 -20.39 17.83 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.461 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 42.4 t-80 -80.76 -62.12 1.76 Allowed 'General case' 0 N--CA 1.489 1.508 0 CA-C-O 121.88 0.848 . . . . 0.0 109.617 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 t -59.27 -16.88 24.15 Favored 'General case' 0 C--N 1.291 -1.942 0 CA-C-O 121.687 0.756 . . . . 0.0 109.619 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 21' ' ' NH2 . . . -89.63 -23.99 21.77 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.566 -0.708 . . . . 0.0 110.161 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -84.59 -3.05 58.26 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.378 179.229 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.68 -21.45 13.04 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.385 -0.822 . . . . 0.0 109.504 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -140.62 -1.92 1.42 Allowed 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.765 -0.584 . . . . 0.0 110.013 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.478 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.306 -1.299 0 O-C-N 119.797 -1.815 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 2' ' ' LEU . 1.9 tttt . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.236 0.541 . . . . 0.0 110.201 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.467 ' O ' ' O ' ' A' ' 1' ' ' LYS . 10.3 tt 58.39 119.61 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.323 -0.861 . . . . 0.0 110.07 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.13 46.36 0.24 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.145 -0.972 . . . . 0.0 110.337 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -88.2 2.45 52.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.386 -0.821 . . . . 0.0 110.018 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -47.59 -27.44 1.85 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.256 -0.903 . . . . 0.0 109.911 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -32.36 73.82 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 121.737 0.779 . . . . 0.0 109.297 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -84.96 -9.22 58.29 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.572 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 11' ' ' GLY . 13.4 mt -106.56 -4.0 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.574 -0.704 . . . . 0.0 110.29 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -42.72 -25.53 0.33 Allowed Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 8' ' ' ILE . 9.9 mm -87.74 24.23 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 O-C-N 121.567 -0.961 . . . . 0.0 110.095 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 8' ' ' ILE . . . -78.89 -17.76 76.48 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.121 -1.591 . . . . 0.0 109.121 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.09 -24.85 47.42 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.489 -1.006 . . . . 0.0 109.267 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.61 -22.1 60.12 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.942 0.877 . . . . 0.0 108.821 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 8.2 mt -75.56 -23.54 56.57 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -85.85 -49.88 7.56 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.949 0.88 . . . . 0.0 109.688 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 2.4 t -52.29 -22.94 4.99 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-O 121.619 0.723 . . . . 0.0 109.931 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.15 -28.3 14.17 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.737 0.78 . . . . 0.0 109.351 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' A' ' 14' ' ' LEU . 5.5 mmtp -80.21 -4.63 53.89 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.641 -0.662 . . . . 0.0 109.414 179.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.573 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -122.93 4.98 9.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.522 -0.736 . . . . 0.0 109.598 179.449 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 19' ' ' LYS . 2.1 m-85 -152.06 15.78 0.64 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.364 -0.835 . . . . 0.0 109.899 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 120.006 -1.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.275 0.559 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.432 ' C ' ' HG2' ' A' ' 3' ' ' LYS . 1.0 OUTLIER -81.93 174.45 11.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.301 -0.874 . . . . 0.0 110.067 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.446 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 10.8 mttt -125.03 60.62 1.2 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.099 -1.001 . . . . 0.0 110.117 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 5' ' ' PHE . 0.5 OUTLIER -125.66 -3.83 7.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.44 -0.788 . . . . 0.0 109.759 179.366 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.509 ' N ' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -57.25 -23.06 45.67 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 122.013 0.911 . . . . 0.0 109.299 179.374 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.8 -28.29 24.61 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-O 121.327 0.585 . . . . 0.0 111.166 -179.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.481 ' CE ' ' HA ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -72.49 -5.82 39.47 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.326 -0.859 . . . . 0.0 110.254 -179.522 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 4' ' ' LEU . 6.5 mm -97.78 -14.7 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.377 -0.827 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.29 -1.43 84.02 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.437 HD13 HG23 ' A' ' 10' ' ' ILE . 51.9 mt -121.18 -0.22 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.198 -1.178 . . . . 0.0 110.135 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.468 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . -76.2 -21.6 75.41 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -85.94 -19.59 30.24 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.399 -1.059 . . . . 0.0 110.267 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.455 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -80.65 -34.53 34.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.44 -0.788 . . . . 0.0 109.542 179.633 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' C ' HD13 ' A' ' 14' ' ' LEU . 3.0 tm? -79.23 -21.24 46.48 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.468 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 2.9 t-80 -85.78 -35.06 20.96 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.775 0.798 . . . . 0.0 109.44 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.7 t -71.87 -25.19 61.85 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.774 0.797 . . . . 0.0 109.166 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.63 -16.46 51.37 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.672 0.748 . . . . 0.0 109.033 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.67 -11.42 57.25 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-O 121.598 0.714 . . . . 0.0 109.4 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.45 -8.03 20.48 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.546 -0.721 . . . . 0.0 109.956 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.09 11.12 1.03 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.464 -0.773 . . . . 0.0 109.847 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.902 -1.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.8 mttp . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 121.149 0.499 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.21 66.0 2.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.242 -0.911 . . . . 0.0 110.295 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 2.8 tptm -90.48 35.06 0.87 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.104 -0.997 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mp -134.29 22.04 3.74 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.447 ' HA ' HD13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -46.14 -25.05 0.53 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.581 0.705 . . . . 0.0 110.425 -179.619 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -47.16 10.33 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.839 0.828 . . . . 0.0 109.856 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -85.87 35.69 0.64 Allowed 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.824 -0.548 . . . . 0.0 110.487 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 5' ' ' PHE . 14.8 mm -63.14 -18.72 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.098 -1.001 . . . . 0.0 110.331 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.35 -0.59 4.1 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.453 ' O ' HG23 ' A' ' 10' ' ' ILE . 24.5 mt -105.2 21.79 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.005 -1.291 . . . . 0.0 110.654 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -94.97 -40.79 4.23 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.154 -1.578 . . . . 0.0 109.154 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -84.93 -4.14 59.01 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 121.693 -0.887 . . . . 0.0 109.678 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.61 -24.02 42.24 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.394 -0.816 . . . . 0.0 109.756 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tp -79.55 -27.09 41.28 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-O 121.946 0.879 . . . . 0.0 109.272 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -85.37 -35.59 21.27 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 121.982 0.896 . . . . 0.0 109.669 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.91 -19.19 62.43 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.532 0.682 . . . . 0.0 110.175 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.0 -23.56 16.77 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.451 -0.781 . . . . 0.0 110.134 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.3 4.37 35.3 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.462 -0.774 . . . . 0.0 109.889 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.62 1.67 3.12 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.267 -0.895 . . . . 0.0 110.33 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.37 11.76 0.91 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.116 -0.99 . . . . 0.0 109.914 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.402 0 O-C-N 119.957 -1.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.479 ' CE ' ' HA ' ' A' ' 1' ' ' LYS . 2.2 mmpt? . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.372 0.606 . . . . 0.0 110.229 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.443 ' O ' ' HG2' ' A' ' 3' ' ' LYS . 0.3 OUTLIER 42.9 89.47 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.272 -0.893 . . . . 0.0 110.331 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 2' ' ' LEU . 0.7 OUTLIER -140.41 70.99 1.36 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.244 -0.91 . . . . 0.0 110.128 179.865 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.8 mt -117.48 -0.91 11.81 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.203 -0.936 . . . . 0.0 110.331 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.434 ' HA ' HD12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -59.73 -19.95 53.34 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.274 -0.891 . . . . 0.0 109.935 179.772 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -82.51 -18.27 42.12 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.694 -0.629 . . . . 0.0 110.457 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.84 7.49 23.76 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.413 -0.804 . . . . 0.0 109.916 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 5' ' ' PHE . 33.6 mt -79.99 -5.4 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.347 -0.845 . . . . 0.0 110.208 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.02 -4.65 68.81 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.449 HG23 ' HB2' ' A' ' 13' ' ' PHE . 37.8 mt -128.68 30.99 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.235 -1.156 . . . . 0.0 110.213 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.59 -18.96 76.87 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.62 -17.06 37.24 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.491 -1.005 . . . . 0.0 110.139 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.449 ' HB2' HG23 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -79.26 -35.52 41.3 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.41 -0.806 . . . . 0.0 109.429 179.605 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -14.4 60.6 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -82.02 -37.06 27.12 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 121.884 0.849 . . . . 0.0 109.514 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.02 -33.1 68.6 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 121.598 0.713 . . . . 0.0 110.351 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.99 -14.11 29.96 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.597 -0.689 . . . . 0.0 109.94 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -85.55 -1.92 57.6 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.563 -0.71 . . . . 0.0 110.089 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.472 ' HE3' ' CE2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -129.55 -1.42 4.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.387 -0.821 . . . . 0.0 110.006 179.68 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.472 ' CE2' ' HE3' ' A' ' 19' ' ' LYS . 59.9 m-85 -151.98 -35.45 0.13 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.271 -0.893 . . . . 0.0 109.918 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.989 -1.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.9 tttt . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 121.235 0.54 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.435 HD23 HD21 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -140.29 136.08 32.91 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.246 -0.909 . . . . 0.0 109.986 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -120.9 49.6 1.45 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.318 -0.864 . . . . 0.0 110.54 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.435 HD21 HD23 ' A' ' 2' ' ' LEU . 1.6 pt? -122.56 5.35 9.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.246 -0.909 . . . . 0.0 109.765 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.61 -25.28 10.21 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.944 0.878 . . . . 0.0 109.597 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -79.39 -10.51 59.82 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.42 0.629 . . . . 0.0 110.336 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -86.17 -1.49 57.48 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.383 -0.823 . . . . 0.0 110.734 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.6 mt -122.3 -4.94 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.218 -0.927 . . . . 0.0 110.211 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.24 -12.7 81.73 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.9 mt -120.35 10.48 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.462 -1.022 . . . . 0.0 109.73 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.48 -23.73 52.96 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -85.34 -25.92 26.83 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.452 -1.028 . . . . 0.0 109.641 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -38.23 87.68 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 121.852 0.834 . . . . 0.0 109.138 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.431 ' N ' HD21 ' A' ' 14' ' ' LEU . 2.4 mm? -66.11 -17.07 64.47 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-O 121.919 0.866 . . . . 0.0 108.865 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -80.92 -37.06 30.25 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 122.078 0.942 . . . . 0.0 109.163 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.3 t -66.11 -9.22 29.2 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.876 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.04 -19.62 16.44 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.357 -0.839 . . . . 0.0 109.418 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -84.92 -5.31 59.35 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 121.476 0.655 . . . . 0.0 109.812 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.68 -0.69 4.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.449 -0.782 . . . . 0.0 110.024 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -165.28 25.11 0.05 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.236 -0.915 . . . . 0.0 110.134 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.43 0 O-C-N 119.893 -1.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.483 0.658 . . . . 0.0 110.263 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' A' ' 1' ' ' LYS . 32.8 mt 56.22 116.4 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.36 -0.838 . . . . 0.0 111.053 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 1.5 ptpt -124.71 50.36 1.73 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.201 -0.937 . . . . 0.0 110.05 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mp -90.55 20.57 4.5 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.257 -0.902 . . . . 0.0 110.571 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -54.03 -34.68 60.61 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 122.19 0.995 . . . . 0.0 109.507 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.22 -10.98 58.28 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.305 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.16 26.47 1.02 Allowed 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.455 -0.778 . . . . 0.0 110.491 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.2 mt -115.54 -7.41 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.136 -0.978 . . . . 0.0 110.118 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 12' ' ' LYS . . . 72.81 28.38 67.13 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 108.985 -1.646 . . . . 0.0 108.985 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.413 ' O ' HD12 ' A' ' 14' ' ' LEU . 9.2 mt -45.35 -41.67 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.667 -0.902 . . . . 0.0 110.509 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.48 -20.35 61.18 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.117 -1.593 . . . . 0.0 109.117 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -86.02 -16.97 36.52 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.618 -0.931 . . . . 0.0 110.318 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.0 -24.07 41.09 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.357 -0.839 . . . . 0.0 109.511 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 10' ' ' ILE . 7.5 mp -78.68 -35.45 45.08 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.922 0.868 . . . . 0.0 109.02 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -82.88 -33.32 27.02 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 121.934 0.873 . . . . 0.0 109.144 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 36.6 t -70.24 -19.18 63.15 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-O 121.691 0.758 . . . . 0.0 109.264 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.93 -23.93 30.94 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.708 0.765 . . . . 0.0 109.44 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -83.24 -5.77 59.24 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-O 121.568 0.699 . . . . 0.0 109.592 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -112.83 -13.68 13.16 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.473 -0.767 . . . . 0.0 110.151 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -156.82 -35.38 0.08 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.504 -0.747 . . . . 0.0 109.657 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.936 -1.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt . . . . . 0 N--CA 1.496 1.831 0 CA-C-O 121.308 0.575 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.8 137.74 54.65 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.247 -0.908 . . . . 0.0 110.166 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.96 74.12 1.29 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.132 -0.98 . . . . 0.0 110.517 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 mt -94.78 17.98 12.58 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.194 -0.942 . . . . 0.0 110.05 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.464 ' O ' HG12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -53.41 -26.7 20.76 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.338 -0.851 . . . . 0.0 110.711 -179.627 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.07 -35.09 22.07 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-O 121.733 0.777 . . . . 0.0 109.876 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -86.25 25.02 1.24 Allowed 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.634 -0.666 . . . . 0.0 110.627 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 5' ' ' PHE . 10.1 mm -51.72 -69.94 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.042 -1.036 . . . . 0.0 109.877 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.409 ' C ' HG13 ' A' ' 10' ' ' ILE . . . 137.27 -4.49 3.45 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.43 ' CG2' ' O ' ' A' ' 10' ' ' ILE . 5.4 mt -129.99 25.03 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.09 -1.241 . . . . 0.0 110.652 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -98.14 -47.17 2.09 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -85.19 -14.49 46.73 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.703 -0.88 . . . . 0.0 110.026 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -70.93 -33.59 70.66 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.109 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.429 HD23 ' CD ' ' A' ' 18' ' ' LYS . 10.3 tt -63.45 -22.95 67.19 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-O 121.966 0.889 . . . . 0.0 108.611 178.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -86.28 -58.42 2.64 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.66 0.743 . . . . 0.0 110.585 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.0 t -60.15 -20.56 59.06 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 121.78 0.8 . . . . 0.0 109.768 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.46 -12.06 35.75 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.481 0.658 . . . . 0.0 109.822 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.429 ' CD ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -85.6 -10.71 55.45 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.367 -0.833 . . . . 0.0 109.801 179.567 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.505 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 19.6 mtpt -113.9 -6.06 13.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.616 -0.677 . . . . 0.0 109.779 179.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.505 ' CD1' ' C ' ' A' ' 19' ' ' LYS . 60.3 m-85 -139.83 -31.45 0.66 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.5 -0.75 . . . . 0.0 109.612 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.899 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.17 0.51 . . . . 0.0 110.252 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 1' ' ' LYS . 1.4 mt 56.9 117.13 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.406 -0.809 . . . . 0.0 110.663 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -117.39 44.72 2.06 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.434 -0.791 . . . . 0.0 109.859 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.509 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -85.44 21.21 1.82 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.2 -0.938 . . . . 0.0 110.654 -179.557 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.57 -25.77 1.88 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.146 -0.971 . . . . 0.0 109.833 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -85.25 -24.54 27.74 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.57 0.7 . . . . 0.0 110.572 179.879 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.509 ' HB3' ' HB2' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -79.11 -6.3 56.14 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.45 -0.781 . . . . 0.0 109.96 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.476 HG23 HD11 ' A' ' 8' ' ' ILE . 26.6 mt -82.73 -12.78 12.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 121.238 -0.914 . . . . 0.0 109.797 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.72 -0.49 2.87 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.475 HG22 HD11 ' A' ' 10' ' ' ILE . 11.3 mt -140.18 28.53 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.075 -1.25 . . . . 0.0 110.063 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.28 -86.4 0.02 OUTLIER Glycine 0 N--CA 1.487 2.049 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -17.87 8.14 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.74 -0.859 . . . . 0.0 110.506 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.454 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 0.7 OUTLIER -65.72 -50.18 65.76 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.299 -0.876 . . . . 0.0 109.758 179.827 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.419 HD21 ' O ' ' A' ' 14' ' ' LEU . 7.9 tt -64.0 -15.5 59.5 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 121.722 0.772 . . . . 0.0 109.295 179.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -85.5 -37.48 19.64 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 121.858 0.837 . . . . 0.0 109.981 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -28.94 68.75 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-O 121.588 0.709 . . . . 0.0 110.11 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.76 -15.83 29.47 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.483 -0.761 . . . . 0.0 109.405 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.69 -1.92 57.66 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.62 -0.675 . . . . 0.0 109.948 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.74 -2.68 2.64 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.262 -0.899 . . . . 0.0 110.708 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.16 -0.08 0.6 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.067 -1.021 . . . . 0.0 110.798 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.289 0 O-C-N 119.645 -1.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' A' ' 2' ' ' LEU . 19.0 mmtt . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.226 0.536 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' A' ' 1' ' ' LYS . 0.9 OUTLIER 60.55 124.03 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.227 -0.921 . . . . 0.0 110.248 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.12 1.47 44.03 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.343 -0.848 . . . . 0.0 110.446 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -88.81 19.18 4.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.21 -0.931 . . . . 0.0 110.231 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.32 -25.58 49.39 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.281 -0.887 . . . . 0.0 109.982 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -85.18 -7.46 59.04 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.719 -0.613 . . . . 0.0 110.259 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -79.64 -14.56 58.71 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.315 -0.866 . . . . 0.0 110.286 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.4 mt -125.28 -5.86 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.383 -0.823 . . . . 0.0 110.12 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.436 ' C ' HG13 ' A' ' 10' ' ' ILE . . . -89.31 -57.06 1.82 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.436 HG13 ' C ' ' A' ' 9' ' ' GLY . 1.5 mp -126.28 8.98 3.88 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 O-C-N 121.752 -0.852 . . . . 0.0 109.96 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.88 -24.43 35.3 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -15.2 43.53 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.458 -1.025 . . . . 0.0 110.202 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.84 -22.97 42.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.381 -0.825 . . . . 0.0 109.515 179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.95 -27.73 39.75 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-O 121.998 0.904 . . . . 0.0 108.835 179.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -83.78 -39.9 19.44 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-O 122.0 0.905 . . . . 0.0 108.943 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -61.02 -15.34 30.92 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.577 0.703 . . . . 0.0 109.434 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.89 -22.09 19.46 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.893 0.854 . . . . 0.0 109.12 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -85.63 -3.21 58.81 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-O 121.371 0.605 . . . . 0.0 109.887 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.444 ' O ' ' CG ' ' A' ' 20' ' ' PHE . 5.0 ttpt -128.97 0.01 5.28 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.39 -0.819 . . . . 0.0 110.202 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.444 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 3.2 m-85 -162.8 -41.37 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.316 -0.865 . . . . 0.0 109.781 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 120.005 -1.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.471 ' O ' ' HB3' ' A' ' 2' ' ' LEU . 1.6 mtmt . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.176 0.512 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.508 HD22 ' CB ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER 59.67 130.22 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.379 -0.825 . . . . 0.0 110.152 -179.697 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -109.6 54.88 0.65 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.222 -0.924 . . . . 0.0 110.178 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.508 ' CB ' HD22 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -126.41 8.16 7.1 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.399 -0.813 . . . . 0.0 109.904 179.709 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.31 -23.49 67.32 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.262 -0.899 . . . . 0.0 109.132 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.82 -2.51 58.62 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.802 -0.561 . . . . 0.0 111.441 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -80.96 -30.37 35.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.996 -1.065 . . . . 0.0 111.372 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.4 mt -108.71 -30.05 2.5 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.822 0 O-C-N 121.111 -0.993 . . . . 0.0 110.112 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.433 ' C ' HG13 ' A' ' 10' ' ' ILE . . . 94.3 -57.3 2.04 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.512 HG22 ' HB3' ' A' ' 13' ' ' PHE . 3.0 mp -139.02 57.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 O-C-N 121.781 -0.834 . . . . 0.0 109.725 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.89 -77.95 0.19 Allowed Glycine 0 N--CA 1.488 2.163 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -78.4 -4.22 47.17 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.632 -0.923 . . . . 0.0 110.87 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.512 ' HB3' HG22 ' A' ' 10' ' ' ILE . 1.2 m-85 -85.34 -27.47 25.86 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.097 -1.002 . . . . 0.0 109.879 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.445 ' HG ' HG21 ' A' ' 10' ' ' ILE . 4.0 mt -76.18 -28.05 57.16 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.877 0.846 . . . . 0.0 109.177 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -80.05 -36.5 35.59 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 122.012 0.911 . . . . 0.0 109.018 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.2 p -69.29 -14.07 62.74 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-O 121.671 0.748 . . . . 0.0 109.13 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.24 -31.44 27.0 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.798 0.809 . . . . 0.0 109.104 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.57 -7.29 58.4 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 121.491 0.663 . . . . 0.0 109.702 179.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -131.49 0.2 4.02 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.469 -0.769 . . . . 0.0 110.12 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -165.33 21.25 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.231 -0.918 . . . . 0.0 110.329 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.835 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.6 tttp . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.168 0.509 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 2' ' ' LEU . 2.4 tt -66.8 116.76 8.04 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.161 -0.962 . . . . 0.0 110.203 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -129.32 25.46 5.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.327 -0.858 . . . . 0.0 109.857 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.427 ' HB3' HG13 ' A' ' 8' ' ' ILE . 5.8 mp -91.54 36.92 0.95 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.346 -0.846 . . . . 0.0 110.449 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -59.5 -26.07 64.98 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.287 -0.883 . . . . 0.0 109.644 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -85.12 -24.22 28.12 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-O 121.782 0.801 . . . . 0.0 109.371 179.53 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 4' ' ' LEU . 7.1 tttt -85.98 -49.79 7.56 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.89 0.852 . . . . 0.0 110.251 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.427 HG13 ' HB3' ' A' ' 4' ' ' LEU . 40.1 mt -81.83 -3.67 7.12 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 CA-C-O 121.394 0.616 . . . . 0.0 110.513 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.62 -21.63 4.91 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.6 mm -74.78 -9.3 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.442 -1.034 . . . . 0.0 109.902 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.87 -22.23 78.8 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -85.61 -44.49 12.58 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.549 -0.971 . . . . 0.0 110.419 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.01 -34.38 73.27 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.776 0.798 . . . . 0.0 109.711 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.49 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 3.4 tm? -70.2 -23.6 62.98 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-O 121.75 0.786 . . . . 0.0 109.61 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -82.4 -35.9 27.22 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.857 0.837 . . . . 0.0 109.384 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -14.2 54.13 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.645 0.736 . . . . 0.0 109.627 179.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.97 -15.53 21.06 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.539 -0.726 . . . . 0.0 109.576 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 14' ' ' LEU . 38.0 mtpt -85.68 -5.49 59.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.59 -0.694 . . . . 0.0 109.744 179.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -119.62 -15.31 8.99 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.366 -0.834 . . . . 0.0 110.604 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -152.02 -36.76 0.12 Allowed 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.259 -0.901 . . . . 0.0 109.975 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.394 0 O-C-N 120.031 -1.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.8 tttm . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.253 0.549 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 55.61 -172.9 0.06 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.241 -0.912 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -116.01 42.45 2.35 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.25 -0.906 . . . . 0.0 110.251 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.458 HD22 ' CD ' ' A' ' 7' ' ' LYS . 7.8 mt -89.24 8.7 28.97 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.206 -0.934 . . . . 0.0 110.13 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.01 -21.54 4.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.279 -0.888 . . . . 0.0 110.081 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -81.02 -16.04 54.46 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.602 -0.686 . . . . 0.0 110.041 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.458 ' CD ' HD22 ' A' ' 4' ' ' LEU . 7.1 tttp -85.49 9.15 16.63 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.525 -0.734 . . . . 0.0 110.151 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.3 mm -89.69 -11.76 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.326 -0.859 . . . . 0.0 110.2 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.55 -7.1 2.49 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.423 HG21 ' O ' ' A' ' 10' ' ' ILE . 18.8 mt -68.86 -6.56 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.191 -1.182 . . . . 0.0 110.084 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.439 ' O ' ' HG ' ' A' ' 14' ' ' LEU . . . -65.93 -11.16 53.85 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.14 -16.98 38.67 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.43 -1.041 . . . . 0.0 110.01 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.73 -29.45 66.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.456 -0.778 . . . . 0.0 109.931 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 3.4 pp -75.05 -20.12 59.7 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.807 0.813 . . . . 0.0 109.314 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -85.76 -40.2 16.32 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.976 0.893 . . . . 0.0 109.722 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 t -67.3 -8.04 29.12 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-O 121.36 0.6 . . . . 0.0 110.189 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.91 -22.95 13.41 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.321 -0.862 . . . . 0.0 109.933 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.56 -0.45 55.05 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.568 -0.707 . . . . 0.0 110.015 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.24 11.28 1.74 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.304 -0.872 . . . . 0.0 110.259 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -157.0 -35.89 0.08 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.146 -0.971 . . . . 0.0 109.979 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.407 0 O-C-N 119.958 -1.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.0 tttt . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.238 0.542 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.54 112.45 1.28 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.301 -0.875 . . . . 0.0 110.175 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -153.67 70.19 0.83 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.235 -0.916 . . . . 0.0 110.258 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.514 ' O ' HG13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -101.56 -2.8 29.71 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.201 -0.937 . . . . 0.0 110.078 179.814 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -19.96 62.42 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.102 -0.999 . . . . 0.0 109.672 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -86.34 -48.91 8.06 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.603 0.716 . . . . 0.0 111.543 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -13.49 2.72 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.543 -0.723 . . . . 0.0 111.351 -178.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 4' ' ' LEU . 26.8 mt -93.76 -6.11 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.097 -1.002 . . . . 0.0 109.92 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.426 ' C ' HG13 ' A' ' 10' ' ' ILE . . . -80.41 -64.19 1.86 Allowed Glycine 0 N--CA 1.488 2.144 0 N-CA-C 108.956 -1.657 . . . . 0.0 108.956 179.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.426 HG13 ' C ' ' A' ' 9' ' ' GLY . 5.7 mt -126.67 2.5 3.94 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 O-C-N 121.838 -0.801 . . . . 0.0 110.008 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.2 -11.69 75.52 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.366 -1.493 . . . . 0.0 109.366 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -85.09 -20.89 29.66 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.393 -1.063 . . . . 0.0 109.859 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -34.4 65.47 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.639 0.733 . . . . 0.0 109.908 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 1.7 tp -72.52 -23.55 61.03 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-O 121.83 0.824 . . . . 0.0 109.196 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -86.63 -41.57 14.14 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 122.105 0.955 . . . . 0.0 109.568 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 t -56.33 -27.21 55.04 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.518 0.675 . . . . 0.0 110.193 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.15 -22.25 14.24 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.502 -0.749 . . . . 0.0 109.869 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 14' ' ' LEU . 13.6 tttt -84.41 0.37 49.71 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.596 -0.69 . . . . 0.0 109.642 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.87 6.5 2.67 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.368 -0.833 . . . . 0.0 110.024 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -157.24 22.35 0.3 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.263 -0.898 . . . . 0.0 109.732 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.301 0 O-C-N 119.915 -1.741 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.238 0.542 . . . . 0.0 110.089 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.08 99.15 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.155 -0.965 . . . . 0.0 110.542 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.83 19.34 20.62 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.191 -0.943 . . . . 0.0 109.98 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.56 14.28 5.84 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.301 -0.874 . . . . 0.0 110.341 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.519 ' HA ' ' CD1' ' A' ' 8' ' ' ILE . 1.1 m-85 -46.38 -25.17 0.6 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.209 -0.932 . . . . 0.0 109.667 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -49.9 67.06 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-O 121.415 0.626 . . . . 0.0 111.047 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.62 26.87 0.9 Allowed 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.361 -0.837 . . . . 0.0 111.884 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.519 ' CD1' ' HA ' ' A' ' 5' ' ' PHE . 16.1 mt -68.55 -7.66 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 120.784 -1.197 . . . . 0.0 110.366 179.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.65 3.31 8.54 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.426 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 1.1 mp -70.44 -3.61 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.13 -1.218 . . . . 0.0 110.146 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.25 -15.3 76.86 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.95 -17.47 37.61 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.448 -1.03 . . . . 0.0 109.509 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -68.26 -47.01 68.87 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 122.057 0.932 . . . . 0.0 108.949 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 14' ' ' LEU . 1.7 tm? -55.19 -25.4 32.53 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.999 0.904 . . . . 0.0 108.9 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -85.78 -40.57 15.91 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-O 122.013 0.911 . . . . 0.0 109.539 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.03 -37.93 16.04 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.727 0.775 . . . . 0.0 109.688 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.59 -21.13 30.49 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 121.705 0.764 . . . . 0.0 109.55 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -85.96 -10.84 54.48 Favored 'General case' 0 C--N 1.3 -1.587 0 CA-C-O 121.498 0.666 . . . . 0.0 109.917 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -138.28 6.34 2.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.616 -0.677 . . . . 0.0 109.905 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -164.93 24.74 0.06 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.338 -0.851 . . . . 0.0 109.896 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 119.913 -1.742 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 2' ' ' LEU . 11.4 tptm . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.146 0.498 . . . . 0.0 110.177 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER 60.67 121.3 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.211 -0.931 . . . . 0.0 110.078 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.41 44.26 1.99 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.058 -1.026 . . . . 0.0 110.918 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.63 7.82 16.24 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.039 -1.038 . . . . 0.0 109.794 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.92 -23.02 67.1 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.993 0.902 . . . . 0.0 109.495 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.86 -19.17 60.27 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 121.338 0.59 . . . . 0.0 110.803 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -82.41 13.47 3.59 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.358 -0.839 . . . . 0.0 110.543 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.5 mt -109.28 -5.32 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.068 -1.02 . . . . 0.0 110.439 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.12 -27.12 68.45 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.8 mm -81.17 4.24 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.502 -0.999 . . . . 0.0 110.628 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.86 -13.69 59.7 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -85.16 -25.53 27.38 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.382 -1.069 . . . . 0.0 110.38 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.06 -35.96 77.12 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.766 0.794 . . . . 0.0 109.466 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 0.5 OUTLIER -66.11 -31.57 72.51 Favored 'General case' 0 C--N 1.292 -1.905 0 CA-C-O 121.997 0.903 . . . . 0.0 108.925 179.255 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 18' ' ' LYS . 6.1 t-80 -84.87 -46.02 11.72 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 122.092 0.948 . . . . 0.0 109.321 178.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -41.45 -61.84 0.98 Allowed 'General case' 0 C--N 1.294 -1.834 0 CA-C-O 121.728 0.775 . . . . 0.0 110.158 179.702 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' N ' ' OG ' ' A' ' 16' ' ' SER . . . -68.05 -11.61 59.31 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.63 -0.669 . . . . 0.0 109.986 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 15' ' ' HIS . 3.3 ttpt -81.63 -28.88 33.44 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.399 -0.813 . . . . 0.0 109.917 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -112.49 6.05 18.34 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.632 -0.668 . . . . 0.0 109.804 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -157.84 20.38 0.26 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.358 -0.839 . . . . 0.0 109.881 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 119.919 -1.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.506 ' O ' ' O ' ' A' ' 2' ' ' LEU . 24.7 mtmt . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.002 0.429 . . . . 0.0 110.085 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.506 ' O ' ' O ' ' A' ' 1' ' ' LYS . 5.5 mp 57.16 145.5 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.52 -0.737 . . . . 0.0 110.522 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -88.04 -4.55 58.77 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.104 -0.997 . . . . 0.0 110.041 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.512 ' O ' HG13 ' A' ' 8' ' ' ILE . 5.3 mp -91.2 20.69 4.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.456 -0.778 . . . . 0.0 109.937 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -44.39 -26.59 0.35 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.287 -0.883 . . . . 0.0 109.469 179.62 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 4' ' ' LEU . 3.1 mptt -62.84 -42.52 99.77 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.581 0.705 . . . . 0.0 110.023 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -85.38 27.58 0.8 Allowed 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.671 -0.643 . . . . 0.0 111.213 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 4' ' ' LEU . 3.8 mt -126.88 -6.0 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 120.969 -1.082 . . . . 0.0 110.571 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.54 -81.13 0.05 OUTLIER Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.471 HG21 ' HB2' ' A' ' 13' ' ' PHE . 4.3 mp -138.26 58.8 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.814 0 O-C-N 121.717 -0.873 . . . . 0.0 110.543 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -100.87 -37.06 3.77 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 7.9 tptt -84.49 -14.33 49.43 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.617 -0.931 . . . . 0.0 109.739 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.471 ' HB2' HG21 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -75.93 -37.77 58.35 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.77 0.795 . . . . 0.0 109.653 179.531 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -69.98 -19.09 63.36 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-O 121.799 0.809 . . . . 0.0 109.15 179.132 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -85.85 -43.19 13.48 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 122.069 0.937 . . . . 0.0 109.76 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 88.0 p -59.38 -19.76 49.55 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-O 121.413 0.625 . . . . 0.0 110.529 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.41 -19.11 18.67 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.245 -0.909 . . . . 0.0 109.691 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.34 -4.48 59.18 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.509 -0.744 . . . . 0.0 109.918 179.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 tttp -136.97 9.88 3.05 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.341 -0.85 . . . . 0.0 110.179 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -165.2 21.07 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.215 -0.928 . . . . 0.0 110.154 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.274 0 O-C-N 119.834 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.434 ' HD2' ' HG2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.249 0.547 . . . . 0.0 110.161 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.6 mp -115.17 117.9 31.82 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.178 -0.951 . . . . 0.0 110.318 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.434 ' HG2' ' HD2' ' A' ' 1' ' ' LYS . 26.4 mttt -99.02 1.19 45.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.271 -0.893 . . . . 0.0 110.216 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.407 HD23 ' C ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -57.74 -18.66 22.62 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.129 -0.982 . . . . 0.0 110.048 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.449 ' O ' HG13 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -61.7 -17.84 57.27 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 178.572 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -69.32 -21.03 63.87 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 121.591 0.71 . . . . 0.0 109.511 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -85.14 23.82 1.2 Allowed 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.624 -0.672 . . . . 0.0 110.401 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 5' ' ' PHE . 4.7 mt -117.2 -7.25 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.072 -1.017 . . . . 0.0 110.112 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -121.94 13.45 9.15 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.47 HG21 ' O ' ' A' ' 10' ' ' ILE . 66.0 mt -94.16 38.89 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.347 -1.09 . . . . 0.0 110.591 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.82 -86.97 0.07 OUTLIER Glycine 0 N--CA 1.487 2.082 0 N-CA-C 109.105 -1.598 . . . . 0.0 109.105 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -74.53 -10.82 59.92 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 121.703 -0.881 . . . . 0.0 109.954 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.41 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -60.17 -26.5 66.38 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.992 0.901 . . . . 0.0 108.703 179.197 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.62 -23.09 40.02 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-O 121.956 0.884 . . . . 0.0 108.697 178.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.01 -40.67 15.56 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.766 0.794 . . . . 0.0 109.591 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 t -71.2 -10.71 60.2 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 121.518 0.675 . . . . 0.0 109.902 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 13' ' ' PHE . . . -98.68 -18.17 18.19 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.556 -0.715 . . . . 0.0 109.703 179.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.61 -11.84 58.1 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.619 0.723 . . . . 0.0 109.582 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.03 6.8 9.78 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.669 -0.645 . . . . 0.0 109.685 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -153.4 -36.24 0.1 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.409 -0.807 . . . . 0.0 109.873 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 119.966 -1.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.1 mttp . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.264 0.554 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 179.59 86.37 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.354 -0.841 . . . . 0.0 110.049 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 2.0 pttp -135.37 56.86 1.82 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.256 -0.903 . . . . 0.0 110.451 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.24 24.63 10.84 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.115 -0.991 . . . . 0.0 110.267 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -25.97 68.12 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.282 -0.886 . . . . 0.0 109.777 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.86 -7.14 59.29 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.799 -0.563 . . . . 0.0 110.635 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.13 2.58 20.34 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.165 -0.959 . . . . 0.0 110.052 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.3 mt -88.7 -2.19 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.289 -0.882 . . . . 0.0 110.366 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.21 61.6 0.31 Allowed Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 10' ' ' ILE . 4.0 mt -85.71 21.78 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.899 0 O-C-N 121.885 -0.773 . . . . 0.0 109.936 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.32 -17.33 66.94 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.38 -17.74 35.8 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.426 -1.043 . . . . 0.0 109.937 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.74 -34.94 69.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.427 -0.796 . . . . 0.0 109.423 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.26 -15.7 62.44 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -73.34 -38.78 65.64 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.868 0.842 . . . . 0.0 109.188 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 t -55.32 -20.59 11.98 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-O 121.759 0.79 . . . . 0.0 109.248 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.1 -16.09 32.33 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.696 0.76 . . . . 0.0 109.107 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -83.76 -4.98 59.07 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.509 0.671 . . . . 0.0 109.472 179.018 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 3.3 tptp -119.54 -3.11 10.41 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.563 -0.711 . . . . 0.0 109.997 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.02 -34.55 0.73 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.315 -0.866 . . . . 0.0 109.322 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.064 -1.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.445 ' HE3' ' HB2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.229 0.538 . . . . 0.0 110.166 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.445 ' HB2' ' HE3' ' A' ' 1' ' ' LYS . 0.2 OUTLIER 62.83 125.53 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.229 -0.919 . . . . 0.0 109.962 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.57 41.32 3.02 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.165 -0.959 . . . . 0.0 110.25 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.31 23.69 11.14 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.256 -0.903 . . . . 0.0 109.903 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.637 ' CD1' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -58.51 -27.9 64.91 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.401 -0.812 . . . . 0.0 110.26 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 7.5 ttpp -74.45 -23.44 58.9 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.51 0.671 . . . . 0.0 110.082 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.2 3.89 41.01 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.432 -0.793 . . . . 0.0 110.591 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.637 HD12 ' CD1' ' A' ' 5' ' ' PHE . 12.3 mt -90.31 -19.27 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.189 -0.944 . . . . 0.0 110.783 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.5 -16.81 2.05 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 10' ' ' ILE . 2.6 mp -89.93 42.06 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.298 -1.119 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.68 -17.4 54.61 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 109.209 -1.556 . . . . 0.0 109.209 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.26 -28.82 25.1 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.403 -1.057 . . . . 0.0 110.112 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -70.85 -39.92 72.67 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.716 0.77 . . . . 0.0 109.513 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mp -72.92 -21.46 60.89 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -82.92 -42.73 17.33 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 122.098 0.952 . . . . 0.0 108.781 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.2 t -70.42 -5.37 27.95 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.621 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.5 -36.26 8.03 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.747 0.784 . . . . 0.0 109.628 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.53 -0.55 38.09 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.452 0.644 . . . . 0.0 109.659 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.62 4.91 3.95 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.428 -0.795 . . . . 0.0 109.824 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -156.5 -40.16 0.08 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.356 -0.84 . . . . 0.0 109.656 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.939 -1.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.224 0.535 . . . . 0.0 110.15 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 mp 49.22 81.84 0.05 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.246 -0.909 . . . . 0.0 109.684 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.534 ' C ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -142.81 61.16 1.42 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.314 -0.866 . . . . 0.0 110.604 -179.467 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 4' ' ' LEU . 7.1 mp -113.06 13.64 19.43 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.235 -0.915 . . . . 0.0 109.775 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.76 -19.87 60.66 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.806 0.812 . . . . 0.0 109.02 178.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -73.63 -20.05 60.69 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.541 0.686 . . . . 0.0 109.639 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -71.32 -10.99 60.65 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.439 -0.788 . . . . 0.0 109.906 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.721 ' CG2' HD12 ' A' ' 10' ' ' ILE . 10.0 mt -64.1 -70.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.367 -0.833 . . . . 0.0 109.923 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.15 24.39 31.93 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.728 HG22 ' O ' ' A' ' 10' ' ' ILE . 79.8 mt -102.13 17.42 4.26 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 O-C-N 121.424 -1.044 . . . . 0.0 110.332 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.12 -16.25 80.69 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.409 -1.476 . . . . 0.0 109.409 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.438 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -86.18 -15.63 40.33 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.433 -1.039 . . . . 0.0 109.614 179.502 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -69.87 -42.65 73.2 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.99 0.9 . . . . 0.0 109.005 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.423 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -56.19 -20.39 17.83 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.472 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 42.4 t-80 -80.76 -62.12 1.76 Allowed 'General case' 0 N--CA 1.489 1.508 0 CA-C-O 121.88 0.848 . . . . 0.0 109.617 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 t -59.27 -16.88 24.15 Favored 'General case' 0 C--N 1.291 -1.942 0 CA-C-O 121.687 0.756 . . . . 0.0 109.619 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 21' ' ' NH2 . . . -89.63 -23.99 21.77 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.566 -0.708 . . . . 0.0 110.161 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -84.59 -3.05 58.26 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.378 179.229 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.68 -21.45 13.04 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.385 -0.822 . . . . 0.0 109.504 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -140.62 -1.92 1.42 Allowed 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.765 -0.584 . . . . 0.0 110.013 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.478 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.306 -1.299 0 O-C-N 119.797 -1.815 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 2' ' ' LEU . 1.9 tttt . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.236 0.541 . . . . 0.0 110.201 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.488 ' C ' HD23 ' A' ' 2' ' ' LEU . 10.3 tt 58.39 119.61 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.323 -0.861 . . . . 0.0 110.07 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.13 46.36 0.24 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.145 -0.972 . . . . 0.0 110.337 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -88.2 2.45 52.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.386 -0.821 . . . . 0.0 110.018 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -47.59 -27.44 1.85 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.256 -0.903 . . . . 0.0 109.911 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -32.36 73.82 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 121.737 0.779 . . . . 0.0 109.297 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.96 -9.22 58.29 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 11' ' ' GLY . 13.4 mt -106.56 -4.0 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.574 -0.704 . . . . 0.0 110.29 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -42.72 -25.53 0.33 Allowed Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 8' ' ' ILE . 9.9 mm -87.74 24.23 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 O-C-N 121.567 -0.961 . . . . 0.0 110.095 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 8' ' ' ILE . . . -78.89 -17.76 76.48 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.121 -1.591 . . . . 0.0 109.121 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.09 -24.85 47.42 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.489 -1.006 . . . . 0.0 109.267 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.61 -22.1 60.12 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.942 0.877 . . . . 0.0 108.821 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.501 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 8.2 mt -75.56 -23.54 56.57 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -85.85 -49.88 7.56 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.949 0.88 . . . . 0.0 109.688 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 2.4 t -52.29 -22.94 4.99 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-O 121.619 0.723 . . . . 0.0 109.931 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.15 -28.3 14.17 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.737 0.78 . . . . 0.0 109.351 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 14' ' ' LEU . 5.5 mmtp -80.21 -4.63 53.89 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.641 -0.662 . . . . 0.0 109.414 179.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.573 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -122.93 4.98 9.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.522 -0.736 . . . . 0.0 109.598 179.449 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 19' ' ' LYS . 2.1 m-85 -152.06 15.78 0.64 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.364 -0.835 . . . . 0.0 109.899 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 120.006 -1.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.275 0.559 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.438 ' C ' ' HG2' ' A' ' 3' ' ' LYS . 1.0 OUTLIER -81.93 174.45 11.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.301 -0.874 . . . . 0.0 110.067 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.462 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 10.8 mttt -125.03 60.62 1.2 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.099 -1.001 . . . . 0.0 110.117 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.489 ' HA ' ' CE ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -125.66 -3.83 7.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.44 -0.788 . . . . 0.0 109.759 179.366 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.48 ' N ' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -57.25 -23.06 45.67 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 122.013 0.911 . . . . 0.0 109.299 179.374 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.8 -28.29 24.61 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-O 121.327 0.585 . . . . 0.0 111.166 -179.279 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.489 ' CE ' ' HA ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -72.49 -5.82 39.47 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.326 -0.859 . . . . 0.0 110.254 -179.522 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 4' ' ' LEU . 6.5 mm -97.78 -14.7 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.377 -0.827 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.29 -1.43 84.02 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 10' ' ' ILE . 51.9 mt -121.18 -0.22 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.198 -1.178 . . . . 0.0 110.135 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . -76.2 -21.6 75.41 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -85.94 -19.59 30.24 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.399 -1.059 . . . . 0.0 110.267 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.448 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -80.65 -34.53 34.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.44 -0.788 . . . . 0.0 109.542 179.633 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.682 ' O ' HD13 ' A' ' 14' ' ' LEU . 3.0 tm? -79.23 -21.24 46.48 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.485 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 2.9 t-80 -85.78 -35.06 20.96 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.775 0.798 . . . . 0.0 109.44 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.7 t -71.87 -25.19 61.85 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.774 0.797 . . . . 0.0 109.166 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.63 -16.46 51.37 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.672 0.748 . . . . 0.0 109.033 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.67 -11.42 57.25 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-O 121.598 0.714 . . . . 0.0 109.4 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.45 -8.03 20.48 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.546 -0.721 . . . . 0.0 109.956 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.09 11.12 1.03 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.464 -0.773 . . . . 0.0 109.847 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.902 -1.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.8 mttp . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 121.149 0.499 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.21 66.0 2.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.242 -0.911 . . . . 0.0 110.295 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 2.8 tptm -90.48 35.06 0.87 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.104 -0.997 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mp -134.29 22.04 3.74 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.656 ' HA ' HD11 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -46.14 -25.05 0.53 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.581 0.705 . . . . 0.0 110.425 -179.619 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -47.16 10.33 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.839 0.828 . . . . 0.0 109.856 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -85.87 35.69 0.64 Allowed 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.824 -0.548 . . . . 0.0 110.487 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.656 HD11 ' HA ' ' A' ' 5' ' ' PHE . 14.8 mm -63.14 -18.72 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.098 -1.001 . . . . 0.0 110.331 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.35 -0.59 4.1 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.687 HG22 ' O ' ' A' ' 10' ' ' ILE . 24.5 mt -105.2 21.79 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.005 -1.291 . . . . 0.0 110.654 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -94.97 -40.79 4.23 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.154 -1.578 . . . . 0.0 109.154 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 16' ' ' SER . 1.8 mtpt -84.93 -4.14 59.01 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 121.693 -0.887 . . . . 0.0 109.678 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.61 -24.02 42.24 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.394 -0.816 . . . . 0.0 109.756 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tp -79.55 -27.09 41.28 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-O 121.946 0.879 . . . . 0.0 109.272 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -85.37 -35.59 21.27 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 121.982 0.896 . . . . 0.0 109.669 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -61.91 -19.19 62.43 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.532 0.682 . . . . 0.0 110.175 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.0 -23.56 16.77 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.451 -0.781 . . . . 0.0 110.134 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.3 4.37 35.3 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.462 -0.774 . . . . 0.0 109.889 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.62 1.67 3.12 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.267 -0.895 . . . . 0.0 110.33 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.37 11.76 0.91 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.116 -0.99 . . . . 0.0 109.914 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.402 0 O-C-N 119.957 -1.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.474 ' HA ' ' CE ' ' A' ' 1' ' ' LYS . 2.2 mmpt? . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.372 0.606 . . . . 0.0 110.229 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' A' ' 3' ' ' LYS . 0.3 OUTLIER 42.9 89.47 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.272 -0.893 . . . . 0.0 110.331 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 2' ' ' LEU . 0.7 OUTLIER -140.41 70.99 1.36 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.244 -0.91 . . . . 0.0 110.128 179.865 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.8 mt -117.48 -0.91 11.81 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.203 -0.936 . . . . 0.0 110.331 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.601 ' HA ' HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -59.73 -19.95 53.34 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.274 -0.891 . . . . 0.0 109.935 179.772 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -82.51 -18.27 42.12 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.694 -0.629 . . . . 0.0 110.457 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.84 7.49 23.76 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.413 -0.804 . . . . 0.0 109.916 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.601 HD11 ' HA ' ' A' ' 5' ' ' PHE . 33.6 mt -79.99 -5.4 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.347 -0.845 . . . . 0.0 110.208 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.02 -4.65 68.81 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.477 HG22 ' O ' ' A' ' 10' ' ' ILE . 37.8 mt -128.68 30.99 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.235 -1.156 . . . . 0.0 110.213 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.59 -18.96 76.87 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.62 -17.06 37.24 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.491 -1.005 . . . . 0.0 110.139 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.26 -35.52 41.3 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.41 -0.806 . . . . 0.0 109.429 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -14.4 60.6 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.433 ' HA ' ' HB2' ' A' ' 18' ' ' LYS . 2.5 t-80 -82.02 -37.06 27.12 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 121.884 0.849 . . . . 0.0 109.514 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.02 -33.1 68.6 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 121.598 0.713 . . . . 0.0 110.351 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.99 -14.11 29.96 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.597 -0.689 . . . . 0.0 109.94 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.433 ' HB2' ' HA ' ' A' ' 15' ' ' HIS . 39.8 mmtt -85.55 -1.92 57.6 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.563 -0.71 . . . . 0.0 110.089 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HE3' ' CE2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -129.55 -1.42 4.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.387 -0.821 . . . . 0.0 110.006 179.68 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.498 ' CE2' ' HE3' ' A' ' 19' ' ' LYS . 59.9 m-85 -151.98 -35.45 0.13 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.271 -0.893 . . . . 0.0 109.918 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.989 -1.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.45 ' C ' HD12 ' A' ' 2' ' ' LEU . 17.9 tttt . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 121.235 0.54 . . . . 0.0 110.125 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.45 HD12 ' C ' ' A' ' 1' ' ' LYS . 1.0 OUTLIER -140.29 136.08 32.91 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.246 -0.909 . . . . 0.0 109.986 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -120.9 49.6 1.45 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.318 -0.864 . . . . 0.0 110.54 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.656 ' H ' HD23 ' A' ' 4' ' ' LEU . 1.6 pt? -122.56 5.35 9.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.246 -0.909 . . . . 0.0 109.765 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.61 -25.28 10.21 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.944 0.878 . . . . 0.0 109.597 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -79.39 -10.51 59.82 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.42 0.629 . . . . 0.0 110.336 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -86.17 -1.49 57.48 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.383 -0.823 . . . . 0.0 110.734 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.6 mt -122.3 -4.94 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.218 -0.927 . . . . 0.0 110.211 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.24 -12.7 81.73 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.617 HG22 ' O ' ' A' ' 10' ' ' ILE . 63.9 mt -120.35 10.48 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.462 -1.022 . . . . 0.0 109.73 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.48 -23.73 52.96 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -85.34 -25.92 26.83 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.452 -1.028 . . . . 0.0 109.641 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -38.23 87.68 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 121.852 0.834 . . . . 0.0 109.138 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.11 -17.07 64.47 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-O 121.919 0.866 . . . . 0.0 108.865 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -80.92 -37.06 30.25 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 122.078 0.942 . . . . 0.0 109.163 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.3 t -66.11 -9.22 29.2 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.876 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.04 -19.62 16.44 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.357 -0.839 . . . . 0.0 109.418 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -84.92 -5.31 59.35 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 121.476 0.655 . . . . 0.0 109.812 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.68 -0.69 4.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.449 -0.782 . . . . 0.0 110.024 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -165.28 25.11 0.05 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.236 -0.915 . . . . 0.0 110.134 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.43 0 O-C-N 119.893 -1.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.483 0.658 . . . . 0.0 110.263 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 1' ' ' LYS . 32.8 mt 56.22 116.4 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.36 -0.838 . . . . 0.0 111.053 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 1.5 ptpt -124.71 50.36 1.73 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.201 -0.937 . . . . 0.0 110.05 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mp -90.55 20.57 4.5 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.257 -0.902 . . . . 0.0 110.571 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -54.03 -34.68 60.61 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 122.19 0.995 . . . . 0.0 109.507 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.22 -10.98 58.28 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.305 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.16 26.47 1.02 Allowed 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.455 -0.778 . . . . 0.0 110.491 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.402 HG21 HD13 ' A' ' 8' ' ' ILE . 5.2 mt -115.54 -7.41 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.136 -0.978 . . . . 0.0 110.118 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 12' ' ' LYS . . . 72.81 28.38 67.13 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 108.985 -1.646 . . . . 0.0 108.985 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.2 mt -45.35 -41.67 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.667 -0.902 . . . . 0.0 110.509 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.48 -20.35 61.18 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.117 -1.593 . . . . 0.0 109.117 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -86.02 -16.97 36.52 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.618 -0.931 . . . . 0.0 110.318 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.0 -24.07 41.09 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.357 -0.839 . . . . 0.0 109.511 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.493 HD12 ' N ' ' A' ' 14' ' ' LEU . 7.5 mp -78.68 -35.45 45.08 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.922 0.868 . . . . 0.0 109.02 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -82.88 -33.32 27.02 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 121.934 0.873 . . . . 0.0 109.144 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.454 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 36.6 t -70.24 -19.18 63.15 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-O 121.691 0.758 . . . . 0.0 109.264 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.93 -23.93 30.94 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.708 0.765 . . . . 0.0 109.44 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -83.24 -5.77 59.24 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-O 121.568 0.699 . . . . 0.0 109.592 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -112.83 -13.68 13.16 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.473 -0.767 . . . . 0.0 110.151 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -156.82 -35.38 0.08 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.504 -0.747 . . . . 0.0 109.657 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.936 -1.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt . . . . . 0 N--CA 1.496 1.831 0 CA-C-O 121.308 0.575 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.8 137.74 54.65 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.247 -0.908 . . . . 0.0 110.166 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.96 74.12 1.29 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.132 -0.98 . . . . 0.0 110.517 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 mt -94.78 17.98 12.58 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.194 -0.942 . . . . 0.0 110.05 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.49 ' O ' HG12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -53.41 -26.7 20.76 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.338 -0.851 . . . . 0.0 110.711 -179.627 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.07 -35.09 22.07 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-O 121.733 0.777 . . . . 0.0 109.876 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -86.25 25.02 1.24 Allowed 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.634 -0.666 . . . . 0.0 110.627 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 5' ' ' PHE . 10.1 mm -51.72 -69.94 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.042 -1.036 . . . . 0.0 109.877 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.404 ' C ' HG13 ' A' ' 10' ' ' ILE . . . 137.27 -4.49 3.45 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.682 HG22 ' O ' ' A' ' 10' ' ' ILE . 5.4 mt -129.99 25.03 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.09 -1.241 . . . . 0.0 110.652 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -98.14 -47.17 2.09 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -85.19 -14.49 46.73 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.703 -0.88 . . . . 0.0 110.026 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -70.93 -33.59 70.66 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.109 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 14' ' ' LEU . 10.3 tt -63.45 -22.95 67.19 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-O 121.966 0.889 . . . . 0.0 108.611 178.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -86.28 -58.42 2.64 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.66 0.743 . . . . 0.0 110.585 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.0 t -60.15 -20.56 59.06 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 121.78 0.8 . . . . 0.0 109.768 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.46 -12.06 35.75 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.481 0.658 . . . . 0.0 109.822 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -85.6 -10.71 55.45 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.367 -0.833 . . . . 0.0 109.801 179.567 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.505 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 19.6 mtpt -113.9 -6.06 13.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.616 -0.677 . . . . 0.0 109.779 179.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.505 ' CD1' ' C ' ' A' ' 19' ' ' LYS . 60.3 m-85 -139.83 -31.45 0.66 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.5 -0.75 . . . . 0.0 109.612 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.899 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.17 0.51 . . . . 0.0 110.252 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' A' ' 1' ' ' LYS . 1.4 mt 56.9 117.13 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.406 -0.809 . . . . 0.0 110.663 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -117.39 44.72 2.06 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.434 -0.791 . . . . 0.0 109.859 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.517 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -85.44 21.21 1.82 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.2 -0.938 . . . . 0.0 110.654 -179.557 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.57 -25.77 1.88 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.146 -0.971 . . . . 0.0 109.833 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -85.25 -24.54 27.74 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.57 0.7 . . . . 0.0 110.572 179.879 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.517 ' HB3' ' HB2' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -79.11 -6.3 56.14 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.45 -0.781 . . . . 0.0 109.96 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 4' ' ' LEU . 26.6 mt -82.73 -12.78 12.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 121.238 -0.914 . . . . 0.0 109.797 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.72 -0.49 2.87 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.531 HG23 ' HB3' ' A' ' 13' ' ' PHE . 11.3 mt -140.18 28.53 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.075 -1.25 . . . . 0.0 110.063 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.28 -86.4 0.02 OUTLIER Glycine 0 N--CA 1.487 2.049 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -17.87 8.14 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.74 -0.859 . . . . 0.0 110.506 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.531 ' HB3' HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -65.72 -50.18 65.76 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.299 -0.876 . . . . 0.0 109.758 179.827 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 14' ' ' LEU . 7.9 tt -64.0 -15.5 59.5 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 121.722 0.772 . . . . 0.0 109.295 179.093 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -85.5 -37.48 19.64 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 121.858 0.837 . . . . 0.0 109.981 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -28.94 68.75 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-O 121.588 0.709 . . . . 0.0 110.11 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.76 -15.83 29.47 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.483 -0.761 . . . . 0.0 109.405 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.69 -1.92 57.66 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.62 -0.675 . . . . 0.0 109.948 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.74 -2.68 2.64 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.262 -0.899 . . . . 0.0 110.708 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.16 -0.08 0.6 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.067 -1.021 . . . . 0.0 110.798 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.289 0 O-C-N 119.645 -1.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.5 ' C ' HD12 ' A' ' 2' ' ' LEU . 19.0 mmtt . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.226 0.536 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.5 HD12 ' C ' ' A' ' 1' ' ' LYS . 0.9 OUTLIER 60.55 124.03 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.227 -0.921 . . . . 0.0 110.248 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.12 1.47 44.03 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.343 -0.848 . . . . 0.0 110.446 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -88.81 19.18 4.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.21 -0.931 . . . . 0.0 110.231 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.32 -25.58 49.39 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.281 -0.887 . . . . 0.0 109.982 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -85.18 -7.46 59.04 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.719 -0.613 . . . . 0.0 110.259 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -79.64 -14.56 58.71 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.315 -0.866 . . . . 0.0 110.286 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.4 mt -125.28 -5.86 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.383 -0.823 . . . . 0.0 110.12 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.429 ' C ' HG13 ' A' ' 10' ' ' ILE . . . -89.31 -57.06 1.82 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.429 HG13 ' C ' ' A' ' 9' ' ' GLY . 1.5 mp -126.28 8.98 3.88 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 O-C-N 121.752 -0.852 . . . . 0.0 109.96 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.88 -24.43 35.3 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -85.52 -15.2 43.53 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.458 -1.025 . . . . 0.0 110.202 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.407 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -79.84 -22.97 42.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.381 -0.825 . . . . 0.0 109.515 179.605 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.95 -27.73 39.75 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-O 121.998 0.904 . . . . 0.0 108.835 179.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -83.78 -39.9 19.44 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-O 122.0 0.905 . . . . 0.0 108.943 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -61.02 -15.34 30.92 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.577 0.703 . . . . 0.0 109.434 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.89 -22.09 19.46 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.893 0.854 . . . . 0.0 109.12 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -85.63 -3.21 58.81 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-O 121.371 0.605 . . . . 0.0 109.887 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.444 ' O ' ' CG ' ' A' ' 20' ' ' PHE . 5.0 ttpt -128.97 0.01 5.28 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.39 -0.819 . . . . 0.0 110.202 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.444 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 3.2 m-85 -162.8 -41.37 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.316 -0.865 . . . . 0.0 109.781 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 120.005 -1.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 2' ' ' LEU . 1.6 mtmt . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.176 0.512 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.476 ' HB3' ' O ' ' A' ' 1' ' ' LYS . 0.7 OUTLIER 59.67 130.22 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.379 -0.825 . . . . 0.0 110.152 -179.697 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -109.6 54.88 0.65 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.222 -0.924 . . . . 0.0 110.178 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.41 8.16 7.1 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.399 -0.813 . . . . 0.0 109.904 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.31 -23.49 67.32 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.262 -0.899 . . . . 0.0 109.132 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.82 -2.51 58.62 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.802 -0.561 . . . . 0.0 111.441 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -80.96 -30.37 35.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.996 -1.065 . . . . 0.0 111.372 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.4 mt -108.71 -30.05 2.5 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.822 0 O-C-N 121.111 -0.993 . . . . 0.0 110.112 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.418 ' C ' HG13 ' A' ' 10' ' ' ILE . . . 94.3 -57.3 2.04 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.689 HG23 ' HB3' ' A' ' 13' ' ' PHE . 3.0 mp -139.02 57.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 O-C-N 121.781 -0.834 . . . . 0.0 109.725 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.89 -77.95 0.19 Allowed Glycine 0 N--CA 1.488 2.163 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -78.4 -4.22 47.17 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.632 -0.923 . . . . 0.0 110.87 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.689 ' HB3' HG23 ' A' ' 10' ' ' ILE . 1.2 m-85 -85.34 -27.47 25.86 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.097 -1.002 . . . . 0.0 109.879 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.481 ' N ' HG22 ' A' ' 10' ' ' ILE . 4.0 mt -76.18 -28.05 57.16 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.877 0.846 . . . . 0.0 109.177 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -80.05 -36.5 35.59 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 122.012 0.911 . . . . 0.0 109.018 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.2 p -69.29 -14.07 62.74 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-O 121.671 0.748 . . . . 0.0 109.13 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.24 -31.44 27.0 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.798 0.809 . . . . 0.0 109.104 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.57 -7.29 58.4 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 121.491 0.663 . . . . 0.0 109.702 179.1 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -131.49 0.2 4.02 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.469 -0.769 . . . . 0.0 110.12 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -165.33 21.25 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.231 -0.918 . . . . 0.0 110.329 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.835 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.6 tttp . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.168 0.509 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.543 HD23 ' H ' ' A' ' 4' ' ' LEU . 2.4 tt -66.8 116.76 8.04 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.161 -0.962 . . . . 0.0 110.203 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -129.32 25.46 5.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.327 -0.858 . . . . 0.0 109.857 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.543 ' H ' HD23 ' A' ' 2' ' ' LEU . 5.8 mp -91.54 36.92 0.95 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.346 -0.846 . . . . 0.0 110.449 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -59.5 -26.07 64.98 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.287 -0.883 . . . . 0.0 109.644 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -85.12 -24.22 28.12 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-O 121.782 0.801 . . . . 0.0 109.371 179.53 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.4 ' HD3' ' CD2' ' A' ' 4' ' ' LEU . 7.1 tttt -85.98 -49.79 7.56 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.89 0.852 . . . . 0.0 110.251 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.451 HG13 ' HB3' ' A' ' 4' ' ' LEU . 40.1 mt -81.83 -3.67 7.12 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 CA-C-O 121.394 0.616 . . . . 0.0 110.513 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.62 -21.63 4.91 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.6 mm -74.78 -9.3 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.442 -1.034 . . . . 0.0 109.902 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.87 -22.23 78.8 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -85.61 -44.49 12.58 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.549 -0.971 . . . . 0.0 110.419 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.01 -34.38 73.27 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.776 0.798 . . . . 0.0 109.711 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.017 ' O ' HD13 ' A' ' 14' ' ' LEU . 3.4 tm? -70.2 -23.6 62.98 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-O 121.75 0.786 . . . . 0.0 109.61 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -82.4 -35.9 27.22 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.857 0.837 . . . . 0.0 109.384 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -14.2 54.13 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.645 0.736 . . . . 0.0 109.627 179.348 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.97 -15.53 21.06 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.539 -0.726 . . . . 0.0 109.576 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 14' ' ' LEU . 38.0 mtpt -85.68 -5.49 59.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.59 -0.694 . . . . 0.0 109.744 179.208 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -119.62 -15.31 8.99 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.366 -0.834 . . . . 0.0 110.604 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -152.02 -36.76 0.12 Allowed 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.259 -0.901 . . . . 0.0 109.975 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.394 0 O-C-N 120.031 -1.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.8 tttm . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.253 0.549 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 55.61 -172.9 0.06 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.241 -0.912 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -116.01 42.45 2.35 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.25 -0.906 . . . . 0.0 110.251 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.575 HD22 ' HD3' ' A' ' 7' ' ' LYS . 7.8 mt -89.24 8.7 28.97 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.206 -0.934 . . . . 0.0 110.13 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.01 -21.54 4.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.279 -0.888 . . . . 0.0 110.081 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -81.02 -16.04 54.46 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.602 -0.686 . . . . 0.0 110.041 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.575 ' HD3' HD22 ' A' ' 4' ' ' LEU . 7.1 tttp -85.49 9.15 16.63 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.525 -0.734 . . . . 0.0 110.151 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.3 mm -89.69 -11.76 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.326 -0.859 . . . . 0.0 110.2 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.55 -7.1 2.49 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.8 mt -68.86 -6.56 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.191 -1.182 . . . . 0.0 110.084 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.444 ' O ' ' HG ' ' A' ' 14' ' ' LEU . . . -65.93 -11.16 53.85 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.14 -16.98 38.67 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.43 -1.041 . . . . 0.0 110.01 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.73 -29.45 66.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.456 -0.778 . . . . 0.0 109.931 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.613 ' C ' HD12 ' A' ' 14' ' ' LEU . 3.4 pp -75.05 -20.12 59.7 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.807 0.813 . . . . 0.0 109.314 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -85.76 -40.2 16.32 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.976 0.893 . . . . 0.0 109.722 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 t -67.3 -8.04 29.12 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-O 121.36 0.6 . . . . 0.0 110.189 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.91 -22.95 13.41 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.321 -0.862 . . . . 0.0 109.933 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.56 -0.45 55.05 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.568 -0.707 . . . . 0.0 110.015 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.24 11.28 1.74 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.304 -0.872 . . . . 0.0 110.259 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -157.0 -35.89 0.08 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.146 -0.971 . . . . 0.0 109.979 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.407 0 O-C-N 119.958 -1.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.0 tttt . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.238 0.542 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.54 112.45 1.28 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.301 -0.875 . . . . 0.0 110.175 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -153.67 70.19 0.83 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.235 -0.916 . . . . 0.0 110.258 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.519 ' O ' HG13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -101.56 -2.8 29.71 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.201 -0.937 . . . . 0.0 110.078 179.814 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -19.96 62.42 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.102 -0.999 . . . . 0.0 109.672 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -86.34 -48.91 8.06 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.603 0.716 . . . . 0.0 111.543 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -13.49 2.72 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.543 -0.723 . . . . 0.0 111.351 -178.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 4' ' ' LEU . 26.8 mt -93.76 -6.11 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.097 -1.002 . . . . 0.0 109.92 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.43 ' C ' HG13 ' A' ' 10' ' ' ILE . . . -80.41 -64.19 1.86 Allowed Glycine 0 N--CA 1.488 2.144 0 N-CA-C 108.956 -1.657 . . . . 0.0 108.956 179.325 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.43 HG13 ' C ' ' A' ' 9' ' ' GLY . 5.7 mt -126.67 2.5 3.94 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 O-C-N 121.838 -0.801 . . . . 0.0 110.008 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.2 -11.69 75.52 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.366 -1.493 . . . . 0.0 109.366 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -85.09 -20.89 29.66 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.393 -1.063 . . . . 0.0 109.859 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -34.4 65.47 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.639 0.733 . . . . 0.0 109.908 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.493 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 1.7 tp -72.52 -23.55 61.03 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-O 121.83 0.824 . . . . 0.0 109.196 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -86.63 -41.57 14.14 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 122.105 0.955 . . . . 0.0 109.568 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 t -56.33 -27.21 55.04 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.518 0.675 . . . . 0.0 110.193 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.15 -22.25 14.24 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.502 -0.749 . . . . 0.0 109.869 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 14' ' ' LEU . 13.6 tttt -84.41 0.37 49.71 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.596 -0.69 . . . . 0.0 109.642 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.87 6.5 2.67 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.368 -0.833 . . . . 0.0 110.024 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -157.24 22.35 0.3 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.263 -0.898 . . . . 0.0 109.732 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.301 0 O-C-N 119.915 -1.741 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.238 0.542 . . . . 0.0 110.089 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.08 99.15 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.155 -0.965 . . . . 0.0 110.542 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.83 19.34 20.62 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.191 -0.943 . . . . 0.0 109.98 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.56 14.28 5.84 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.301 -0.874 . . . . 0.0 110.341 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.562 ' HA ' ' CD1' ' A' ' 8' ' ' ILE . 1.1 m-85 -46.38 -25.17 0.6 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.209 -0.932 . . . . 0.0 109.667 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -49.9 67.06 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-O 121.415 0.626 . . . . 0.0 111.047 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.62 26.87 0.9 Allowed 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.361 -0.837 . . . . 0.0 111.884 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.562 ' CD1' ' HA ' ' A' ' 5' ' ' PHE . 16.1 mt -68.55 -7.66 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 120.784 -1.197 . . . . 0.0 110.366 179.47 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.65 3.31 8.54 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.426 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 1.1 mp -70.44 -3.61 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.13 -1.218 . . . . 0.0 110.146 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.25 -15.3 76.86 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.95 -17.47 37.61 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.448 -1.03 . . . . 0.0 109.509 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -68.26 -47.01 68.87 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 122.057 0.932 . . . . 0.0 108.949 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.773 HD13 ' C ' ' A' ' 14' ' ' LEU . 1.7 tm? -55.19 -25.4 32.53 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.999 0.904 . . . . 0.0 108.9 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -85.78 -40.57 15.91 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-O 122.013 0.911 . . . . 0.0 109.539 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.03 -37.93 16.04 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.727 0.775 . . . . 0.0 109.688 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.59 -21.13 30.49 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 121.705 0.764 . . . . 0.0 109.55 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -85.96 -10.84 54.48 Favored 'General case' 0 C--N 1.3 -1.587 0 CA-C-O 121.498 0.666 . . . . 0.0 109.917 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -138.28 6.34 2.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.616 -0.677 . . . . 0.0 109.905 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -164.93 24.74 0.06 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.338 -0.851 . . . . 0.0 109.896 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 119.913 -1.742 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 2' ' ' LEU . 11.4 tptm . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.146 0.498 . . . . 0.0 110.177 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER 60.67 121.3 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.211 -0.931 . . . . 0.0 110.078 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.41 44.26 1.99 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.058 -1.026 . . . . 0.0 110.918 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.63 7.82 16.24 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.039 -1.038 . . . . 0.0 109.794 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.92 -23.02 67.1 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.993 0.902 . . . . 0.0 109.495 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.86 -19.17 60.27 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 121.338 0.59 . . . . 0.0 110.803 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -82.41 13.47 3.59 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.358 -0.839 . . . . 0.0 110.543 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.5 mt -109.28 -5.32 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.068 -1.02 . . . . 0.0 110.439 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.12 -27.12 68.45 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.512 HG22 ' O ' ' A' ' 10' ' ' ILE . 22.8 mm -81.17 4.24 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.502 -0.999 . . . . 0.0 110.628 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.86 -13.69 59.7 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -85.16 -25.53 27.38 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.382 -1.069 . . . . 0.0 110.38 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.06 -35.96 77.12 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.766 0.794 . . . . 0.0 109.466 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.496 ' HA ' HD22 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -66.11 -31.57 72.51 Favored 'General case' 0 C--N 1.292 -1.905 0 CA-C-O 121.997 0.903 . . . . 0.0 108.925 179.255 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 18' ' ' LYS . 6.1 t-80 -84.87 -46.02 11.72 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 122.092 0.948 . . . . 0.0 109.321 178.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -41.45 -61.84 0.98 Allowed 'General case' 0 C--N 1.294 -1.834 0 CA-C-O 121.728 0.775 . . . . 0.0 110.158 179.702 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' N ' ' OG ' ' A' ' 16' ' ' SER . . . -68.05 -11.61 59.31 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.63 -0.669 . . . . 0.0 109.986 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 14' ' ' LEU . 3.3 ttpt -81.63 -28.88 33.44 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.399 -0.813 . . . . 0.0 109.917 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -112.49 6.05 18.34 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.632 -0.668 . . . . 0.0 109.804 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -157.84 20.38 0.26 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.358 -0.839 . . . . 0.0 109.881 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 119.919 -1.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.506 ' O ' ' O ' ' A' ' 2' ' ' LEU . 24.7 mtmt . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.002 0.429 . . . . 0.0 110.085 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.506 ' O ' ' O ' ' A' ' 1' ' ' LYS . 5.5 mp 57.16 145.5 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.52 -0.737 . . . . 0.0 110.522 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -88.04 -4.55 58.77 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.104 -0.997 . . . . 0.0 110.041 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.532 ' O ' HG13 ' A' ' 8' ' ' ILE . 5.3 mp -91.2 20.69 4.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.456 -0.778 . . . . 0.0 109.937 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.537 ' HA ' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -44.39 -26.59 0.35 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.287 -0.883 . . . . 0.0 109.469 179.62 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 4' ' ' LEU . 3.1 mptt -62.84 -42.52 99.77 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.581 0.705 . . . . 0.0 110.023 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -85.38 27.58 0.8 Allowed 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.671 -0.643 . . . . 0.0 111.213 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' A' ' 5' ' ' PHE . 3.8 mt -126.88 -6.0 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 120.969 -1.082 . . . . 0.0 110.571 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.54 -81.13 0.05 OUTLIER Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.497 ' N ' HD12 ' A' ' 10' ' ' ILE . 4.3 mp -138.26 58.8 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.814 0 O-C-N 121.717 -0.873 . . . . 0.0 110.543 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -100.87 -37.06 3.77 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 7.9 tptt -84.49 -14.33 49.43 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.617 -0.931 . . . . 0.0 109.739 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.93 -37.77 58.35 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.77 0.795 . . . . 0.0 109.653 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.497 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -69.98 -19.09 63.36 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-O 121.799 0.809 . . . . 0.0 109.15 179.132 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -85.85 -43.19 13.48 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 122.069 0.937 . . . . 0.0 109.76 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 88.0 p -59.38 -19.76 49.55 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-O 121.413 0.625 . . . . 0.0 110.529 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.41 -19.11 18.67 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.245 -0.909 . . . . 0.0 109.691 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.34 -4.48 59.18 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.509 -0.744 . . . . 0.0 109.918 179.104 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 tttp -136.97 9.88 3.05 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.341 -0.85 . . . . 0.0 110.179 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -165.2 21.07 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.215 -0.928 . . . . 0.0 110.154 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.274 0 O-C-N 119.834 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.44 ' HD2' ' HG2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.249 0.547 . . . . 0.0 110.161 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.6 mp -115.17 117.9 31.82 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.178 -0.951 . . . . 0.0 110.318 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.44 ' HG2' ' HD2' ' A' ' 1' ' ' LYS . 26.4 mttt -99.02 1.19 45.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.271 -0.893 . . . . 0.0 110.216 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.43 ' C ' HD23 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -57.74 -18.66 22.62 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.129 -0.982 . . . . 0.0 110.048 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.506 ' CD1' HD12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -61.7 -17.84 57.27 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 178.572 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -69.32 -21.03 63.87 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 121.591 0.71 . . . . 0.0 109.511 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.452 ' HA ' HD12 ' A' ' 10' ' ' ILE . 8.4 tttp -85.14 23.82 1.2 Allowed 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.624 -0.672 . . . . 0.0 110.401 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.506 HD12 ' CD1' ' A' ' 5' ' ' PHE . 4.7 mt -117.2 -7.25 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.072 -1.017 . . . . 0.0 110.112 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -121.94 13.45 9.15 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.695 HG22 ' O ' ' A' ' 10' ' ' ILE . 66.0 mt -94.16 38.89 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.347 -1.09 . . . . 0.0 110.591 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.82 -86.97 0.07 OUTLIER Glycine 0 N--CA 1.487 2.082 0 N-CA-C 109.105 -1.598 . . . . 0.0 109.105 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -74.53 -10.82 59.92 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 121.703 -0.881 . . . . 0.0 109.954 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.428 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -60.17 -26.5 66.38 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.992 0.901 . . . . 0.0 108.703 179.197 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -80.62 -23.09 40.02 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-O 121.956 0.884 . . . . 0.0 108.697 178.849 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.01 -40.67 15.56 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.766 0.794 . . . . 0.0 109.591 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 t -71.2 -10.71 60.2 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 121.518 0.675 . . . . 0.0 109.902 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.68 -18.17 18.19 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.556 -0.715 . . . . 0.0 109.703 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.61 -11.84 58.1 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.619 0.723 . . . . 0.0 109.582 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.03 6.8 9.78 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.669 -0.645 . . . . 0.0 109.685 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -153.4 -36.24 0.1 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.409 -0.807 . . . . 0.0 109.873 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 119.966 -1.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.1 mttp . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.264 0.554 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 179.59 86.37 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.354 -0.841 . . . . 0.0 110.049 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 2.0 pttp -135.37 56.86 1.82 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.256 -0.903 . . . . 0.0 110.451 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.24 24.63 10.84 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.115 -0.991 . . . . 0.0 110.267 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -25.97 68.12 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.282 -0.886 . . . . 0.0 109.777 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.86 -7.14 59.29 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.799 -0.563 . . . . 0.0 110.635 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.13 2.58 20.34 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.165 -0.959 . . . . 0.0 110.052 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.3 mt -88.7 -2.19 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.289 -0.882 . . . . 0.0 110.366 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.21 61.6 0.31 Allowed Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.442 ' O ' HG22 ' A' ' 10' ' ' ILE . 4.0 mt -85.71 21.78 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.899 0 O-C-N 121.885 -0.773 . . . . 0.0 109.936 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.32 -17.33 66.94 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.38 -17.74 35.8 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.426 -1.043 . . . . 0.0 109.937 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.74 -34.94 69.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.427 -0.796 . . . . 0.0 109.423 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.26 -15.7 62.44 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -73.34 -38.78 65.64 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.868 0.842 . . . . 0.0 109.188 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 t -55.32 -20.59 11.98 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-O 121.759 0.79 . . . . 0.0 109.248 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.1 -16.09 32.33 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.696 0.76 . . . . 0.0 109.107 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' O ' ' NZ ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -83.76 -4.98 59.07 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.509 0.671 . . . . 0.0 109.472 179.018 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 3.3 tptp -119.54 -3.11 10.41 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.563 -0.711 . . . . 0.0 109.997 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.02 -34.55 0.73 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.315 -0.866 . . . . 0.0 109.322 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.064 -1.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.445 ' HE3' ' HB2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.229 0.538 . . . . 0.0 110.166 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.445 ' HB2' ' HE3' ' A' ' 1' ' ' LYS . 0.2 OUTLIER 62.83 125.53 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.229 -0.919 . . . . 0.0 109.962 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.57 41.32 3.02 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.165 -0.959 . . . . 0.0 110.25 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.31 23.69 11.14 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.256 -0.903 . . . . 0.0 109.903 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.637 ' CD1' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -58.51 -27.9 64.91 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.401 -0.812 . . . . 0.0 110.26 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 7.5 ttpp -74.45 -23.44 58.9 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.51 0.671 . . . . 0.0 110.082 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.2 3.89 41.01 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.432 -0.793 . . . . 0.0 110.591 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.637 HD12 ' CD1' ' A' ' 5' ' ' PHE . 12.3 mt -90.31 -19.27 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.189 -0.944 . . . . 0.0 110.783 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.5 -16.81 2.05 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.464 ' O ' HG22 ' A' ' 10' ' ' ILE . 2.6 mp -89.93 42.06 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.298 -1.119 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.68 -17.4 54.61 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 109.209 -1.556 . . . . 0.0 109.209 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.26 -28.82 25.1 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.403 -1.057 . . . . 0.0 110.112 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -70.85 -39.92 72.67 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.716 0.77 . . . . 0.0 109.513 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mp -72.92 -21.46 60.89 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -82.92 -42.73 17.33 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 122.098 0.952 . . . . 0.0 108.781 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.2 t -70.42 -5.37 27.95 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.621 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.5 -36.26 8.03 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.747 0.784 . . . . 0.0 109.628 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.53 -0.55 38.09 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.452 0.644 . . . . 0.0 109.659 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.62 4.91 3.95 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.428 -0.795 . . . . 0.0 109.824 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -156.5 -40.16 0.08 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.356 -0.84 . . . . 0.0 109.656 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.939 -1.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.224 0.535 . . . . 0.0 110.15 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 mp 49.22 81.84 0.05 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.246 -0.909 . . . . 0.0 109.684 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.534 ' C ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -142.81 61.16 1.42 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.314 -0.866 . . . . 0.0 110.604 -179.467 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 4' ' ' LEU . 7.1 mp -113.06 13.64 19.43 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.235 -0.915 . . . . 0.0 109.775 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.76 -19.87 60.66 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.806 0.812 . . . . 0.0 109.02 178.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -73.63 -20.05 60.69 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.541 0.686 . . . . 0.0 109.639 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -71.32 -10.99 60.65 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.439 -0.788 . . . . 0.0 109.906 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.721 ' CG2' HD12 ' A' ' 10' ' ' ILE . 10.0 mt -64.1 -70.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.367 -0.833 . . . . 0.0 109.923 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.15 24.39 31.93 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.728 ' O ' HG22 ' A' ' 10' ' ' ILE . 79.8 mt -102.13 17.42 4.26 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 O-C-N 121.424 -1.044 . . . . 0.0 110.332 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.12 -16.25 80.69 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.409 -1.476 . . . . 0.0 109.409 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.438 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -86.18 -15.63 40.33 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.433 -1.039 . . . . 0.0 109.614 179.502 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -69.87 -42.65 73.2 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.99 0.9 . . . . 0.0 109.005 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.423 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -56.19 -20.39 17.83 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.472 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 42.4 t-80 -80.76 -62.12 1.76 Allowed 'General case' 0 N--CA 1.489 1.508 0 CA-C-O 121.88 0.848 . . . . 0.0 109.617 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 t -59.27 -16.88 24.15 Favored 'General case' 0 C--N 1.291 -1.942 0 CA-C-O 121.687 0.756 . . . . 0.0 109.619 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 21' ' ' NH2 . . . -89.63 -23.99 21.77 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.566 -0.708 . . . . 0.0 110.161 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -84.59 -3.05 58.26 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.378 179.229 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.68 -21.45 13.04 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.385 -0.822 . . . . 0.0 109.504 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -140.62 -1.92 1.42 Allowed 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.765 -0.584 . . . . 0.0 110.013 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.478 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.306 -1.299 0 O-C-N 119.797 -1.815 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 2' ' ' LEU . 1.9 tttt . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.236 0.541 . . . . 0.0 110.201 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.488 HD23 ' C ' ' A' ' 2' ' ' LEU . 10.3 tt 58.39 119.61 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.323 -0.861 . . . . 0.0 110.07 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.13 46.36 0.24 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.145 -0.972 . . . . 0.0 110.337 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -88.2 2.45 52.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.386 -0.821 . . . . 0.0 110.018 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -47.59 -27.44 1.85 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.256 -0.903 . . . . 0.0 109.911 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -32.36 73.82 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 121.737 0.779 . . . . 0.0 109.297 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.96 -9.22 58.29 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 11' ' ' GLY . 13.4 mt -106.56 -4.0 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.574 -0.704 . . . . 0.0 110.29 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -42.72 -25.53 0.33 Allowed Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 8' ' ' ILE . 9.9 mm -87.74 24.23 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 O-C-N 121.567 -0.961 . . . . 0.0 110.095 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 8' ' ' ILE . . . -78.89 -17.76 76.48 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.121 -1.591 . . . . 0.0 109.121 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.09 -24.85 47.42 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.489 -1.006 . . . . 0.0 109.267 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.61 -22.1 60.12 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.942 0.877 . . . . 0.0 108.821 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.501 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 8.2 mt -75.56 -23.54 56.57 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -85.85 -49.88 7.56 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.949 0.88 . . . . 0.0 109.688 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 2.4 t -52.29 -22.94 4.99 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-O 121.619 0.723 . . . . 0.0 109.931 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.15 -28.3 14.17 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.737 0.78 . . . . 0.0 109.351 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 14' ' ' LEU . 5.5 mmtp -80.21 -4.63 53.89 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.641 -0.662 . . . . 0.0 109.414 179.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.573 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -122.93 4.98 9.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.522 -0.736 . . . . 0.0 109.598 179.449 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 19' ' ' LYS . 2.1 m-85 -152.06 15.78 0.64 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.364 -0.835 . . . . 0.0 109.899 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 120.006 -1.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.275 0.559 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.438 ' C ' ' HG2' ' A' ' 3' ' ' LYS . 1.0 OUTLIER -81.93 174.45 11.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.301 -0.874 . . . . 0.0 110.067 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.462 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 10.8 mttt -125.03 60.62 1.2 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.099 -1.001 . . . . 0.0 110.117 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.489 ' HA ' ' CE ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -125.66 -3.83 7.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.44 -0.788 . . . . 0.0 109.759 179.366 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.48 ' N ' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -57.25 -23.06 45.67 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 122.013 0.911 . . . . 0.0 109.299 179.374 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.8 -28.29 24.61 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-O 121.327 0.585 . . . . 0.0 111.166 -179.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.489 ' CE ' ' HA ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -72.49 -5.82 39.47 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.326 -0.859 . . . . 0.0 110.254 -179.522 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 4' ' ' LEU . 6.5 mm -97.78 -14.7 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.377 -0.827 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.29 -1.43 84.02 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.55 ' O ' HG22 ' A' ' 10' ' ' ILE . 51.9 mt -121.18 -0.22 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.198 -1.178 . . . . 0.0 110.135 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . -76.2 -21.6 75.41 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -85.94 -19.59 30.24 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.399 -1.059 . . . . 0.0 110.267 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.448 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -80.65 -34.53 34.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.44 -0.788 . . . . 0.0 109.542 179.633 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.682 HD13 ' O ' ' A' ' 14' ' ' LEU . 3.0 tm? -79.23 -21.24 46.48 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.485 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 2.9 t-80 -85.78 -35.06 20.96 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.775 0.798 . . . . 0.0 109.44 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.7 t -71.87 -25.19 61.85 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.774 0.797 . . . . 0.0 109.166 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.63 -16.46 51.37 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.672 0.748 . . . . 0.0 109.033 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.67 -11.42 57.25 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-O 121.598 0.714 . . . . 0.0 109.4 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.45 -8.03 20.48 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.546 -0.721 . . . . 0.0 109.956 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.09 11.12 1.03 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.464 -0.773 . . . . 0.0 109.847 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.902 -1.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.8 mttp . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 121.149 0.499 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.21 66.0 2.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.242 -0.911 . . . . 0.0 110.295 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 2.8 tptm -90.48 35.06 0.87 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.104 -0.997 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mp -134.29 22.04 3.74 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.656 ' HA ' HD11 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -46.14 -25.05 0.53 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.581 0.705 . . . . 0.0 110.425 -179.619 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -47.16 10.33 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.839 0.828 . . . . 0.0 109.856 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -85.87 35.69 0.64 Allowed 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.824 -0.548 . . . . 0.0 110.487 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.656 HD11 ' HA ' ' A' ' 5' ' ' PHE . 14.8 mm -63.14 -18.72 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.098 -1.001 . . . . 0.0 110.331 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.35 -0.59 4.1 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.687 ' O ' HG22 ' A' ' 10' ' ' ILE . 24.5 mt -105.2 21.79 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.005 -1.291 . . . . 0.0 110.654 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -94.97 -40.79 4.23 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.154 -1.578 . . . . 0.0 109.154 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 16' ' ' SER . 1.8 mtpt -84.93 -4.14 59.01 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 121.693 -0.887 . . . . 0.0 109.678 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.61 -24.02 42.24 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.394 -0.816 . . . . 0.0 109.756 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tp -79.55 -27.09 41.28 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-O 121.946 0.879 . . . . 0.0 109.272 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -85.37 -35.59 21.27 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 121.982 0.896 . . . . 0.0 109.669 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -61.91 -19.19 62.43 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.532 0.682 . . . . 0.0 110.175 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.0 -23.56 16.77 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.451 -0.781 . . . . 0.0 110.134 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.3 4.37 35.3 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.462 -0.774 . . . . 0.0 109.889 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.62 1.67 3.12 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.267 -0.895 . . . . 0.0 110.33 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.37 11.76 0.91 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.116 -0.99 . . . . 0.0 109.914 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.402 0 O-C-N 119.957 -1.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.474 ' CE ' ' HA ' ' A' ' 1' ' ' LYS . 2.2 mmpt? . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.372 0.606 . . . . 0.0 110.229 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' A' ' 3' ' ' LYS . 0.3 OUTLIER 42.9 89.47 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.272 -0.893 . . . . 0.0 110.331 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 2' ' ' LEU . 0.7 OUTLIER -140.41 70.99 1.36 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.244 -0.91 . . . . 0.0 110.128 179.865 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.8 mt -117.48 -0.91 11.81 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.203 -0.936 . . . . 0.0 110.331 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.601 ' HA ' HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -59.73 -19.95 53.34 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.274 -0.891 . . . . 0.0 109.935 179.772 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -82.51 -18.27 42.12 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.694 -0.629 . . . . 0.0 110.457 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.84 7.49 23.76 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.413 -0.804 . . . . 0.0 109.916 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.601 HD11 ' HA ' ' A' ' 5' ' ' PHE . 33.6 mt -79.99 -5.4 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.347 -0.845 . . . . 0.0 110.208 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.02 -4.65 68.81 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.477 ' O ' HG22 ' A' ' 10' ' ' ILE . 37.8 mt -128.68 30.99 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.235 -1.156 . . . . 0.0 110.213 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.59 -18.96 76.87 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.62 -17.06 37.24 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.491 -1.005 . . . . 0.0 110.139 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.26 -35.52 41.3 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.41 -0.806 . . . . 0.0 109.429 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -14.4 60.6 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.433 ' HA ' ' HB2' ' A' ' 18' ' ' LYS . 2.5 t-80 -82.02 -37.06 27.12 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 121.884 0.849 . . . . 0.0 109.514 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.02 -33.1 68.6 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 121.598 0.713 . . . . 0.0 110.351 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.99 -14.11 29.96 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.597 -0.689 . . . . 0.0 109.94 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.433 ' HB2' ' HA ' ' A' ' 15' ' ' HIS . 39.8 mmtt -85.55 -1.92 57.6 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.563 -0.71 . . . . 0.0 110.089 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HE3' ' CE2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -129.55 -1.42 4.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.387 -0.821 . . . . 0.0 110.006 179.68 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.498 ' CE2' ' HE3' ' A' ' 19' ' ' LYS . 59.9 m-85 -151.98 -35.45 0.13 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.271 -0.893 . . . . 0.0 109.918 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.989 -1.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.45 ' C ' HD12 ' A' ' 2' ' ' LEU . 17.9 tttt . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 121.235 0.54 . . . . 0.0 110.125 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.45 HD12 ' C ' ' A' ' 1' ' ' LYS . 1.0 OUTLIER -140.29 136.08 32.91 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.246 -0.909 . . . . 0.0 109.986 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -120.9 49.6 1.45 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.318 -0.864 . . . . 0.0 110.54 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.656 HD23 ' H ' ' A' ' 4' ' ' LEU . 1.6 pt? -122.56 5.35 9.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.246 -0.909 . . . . 0.0 109.765 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.61 -25.28 10.21 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.944 0.878 . . . . 0.0 109.597 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -79.39 -10.51 59.82 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.42 0.629 . . . . 0.0 110.336 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -86.17 -1.49 57.48 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.383 -0.823 . . . . 0.0 110.734 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.6 mt -122.3 -4.94 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.218 -0.927 . . . . 0.0 110.211 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.24 -12.7 81.73 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.617 ' O ' HG22 ' A' ' 10' ' ' ILE . 63.9 mt -120.35 10.48 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.462 -1.022 . . . . 0.0 109.73 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.48 -23.73 52.96 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -85.34 -25.92 26.83 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.452 -1.028 . . . . 0.0 109.641 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -38.23 87.68 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 121.852 0.834 . . . . 0.0 109.138 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.11 -17.07 64.47 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-O 121.919 0.866 . . . . 0.0 108.865 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -80.92 -37.06 30.25 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 122.078 0.942 . . . . 0.0 109.163 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.3 t -66.11 -9.22 29.2 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.876 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.04 -19.62 16.44 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.357 -0.839 . . . . 0.0 109.418 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -84.92 -5.31 59.35 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 121.476 0.655 . . . . 0.0 109.812 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.68 -0.69 4.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.449 -0.782 . . . . 0.0 110.024 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -165.28 25.11 0.05 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.236 -0.915 . . . . 0.0 110.134 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.43 0 O-C-N 119.893 -1.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.483 0.658 . . . . 0.0 110.263 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 1' ' ' LYS . 32.8 mt 56.22 116.4 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.36 -0.838 . . . . 0.0 111.053 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 1.5 ptpt -124.71 50.36 1.73 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.201 -0.937 . . . . 0.0 110.05 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mp -90.55 20.57 4.5 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.257 -0.902 . . . . 0.0 110.571 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -54.03 -34.68 60.61 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 122.19 0.995 . . . . 0.0 109.507 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.22 -10.98 58.28 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.305 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.16 26.47 1.02 Allowed 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.455 -0.778 . . . . 0.0 110.491 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.402 HG21 HD13 ' A' ' 8' ' ' ILE . 5.2 mt -115.54 -7.41 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.136 -0.978 . . . . 0.0 110.118 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 12' ' ' LYS . . . 72.81 28.38 67.13 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 108.985 -1.646 . . . . 0.0 108.985 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.2 mt -45.35 -41.67 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.667 -0.902 . . . . 0.0 110.509 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.48 -20.35 61.18 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.117 -1.593 . . . . 0.0 109.117 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -86.02 -16.97 36.52 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.618 -0.931 . . . . 0.0 110.318 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.0 -24.07 41.09 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.357 -0.839 . . . . 0.0 109.511 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.493 ' N ' HD12 ' A' ' 14' ' ' LEU . 7.5 mp -78.68 -35.45 45.08 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.922 0.868 . . . . 0.0 109.02 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -82.88 -33.32 27.02 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 121.934 0.873 . . . . 0.0 109.144 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.454 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 36.6 t -70.24 -19.18 63.15 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-O 121.691 0.758 . . . . 0.0 109.264 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.93 -23.93 30.94 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.708 0.765 . . . . 0.0 109.44 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -83.24 -5.77 59.24 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-O 121.568 0.699 . . . . 0.0 109.592 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -112.83 -13.68 13.16 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.473 -0.767 . . . . 0.0 110.151 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -156.82 -35.38 0.08 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.504 -0.747 . . . . 0.0 109.657 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.936 -1.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt . . . . . 0 N--CA 1.496 1.831 0 CA-C-O 121.308 0.575 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.8 137.74 54.65 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.247 -0.908 . . . . 0.0 110.166 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.96 74.12 1.29 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.132 -0.98 . . . . 0.0 110.517 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 mt -94.78 17.98 12.58 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.194 -0.942 . . . . 0.0 110.05 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.49 ' O ' HG12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -53.41 -26.7 20.76 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.338 -0.851 . . . . 0.0 110.711 -179.627 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.07 -35.09 22.07 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-O 121.733 0.777 . . . . 0.0 109.876 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -86.25 25.02 1.24 Allowed 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.634 -0.666 . . . . 0.0 110.627 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 5' ' ' PHE . 10.1 mm -51.72 -69.94 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.042 -1.036 . . . . 0.0 109.877 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.404 ' C ' HG13 ' A' ' 10' ' ' ILE . . . 137.27 -4.49 3.45 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.682 ' O ' HG22 ' A' ' 10' ' ' ILE . 5.4 mt -129.99 25.03 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.09 -1.241 . . . . 0.0 110.652 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -98.14 -47.17 2.09 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -85.19 -14.49 46.73 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.703 -0.88 . . . . 0.0 110.026 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -70.93 -33.59 70.66 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.109 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 14' ' ' LEU . 10.3 tt -63.45 -22.95 67.19 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-O 121.966 0.889 . . . . 0.0 108.611 178.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -86.28 -58.42 2.64 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.66 0.743 . . . . 0.0 110.585 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.0 t -60.15 -20.56 59.06 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 121.78 0.8 . . . . 0.0 109.768 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.46 -12.06 35.75 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.481 0.658 . . . . 0.0 109.822 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -85.6 -10.71 55.45 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.367 -0.833 . . . . 0.0 109.801 179.567 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.505 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 19.6 mtpt -113.9 -6.06 13.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.616 -0.677 . . . . 0.0 109.779 179.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.505 ' CD1' ' C ' ' A' ' 19' ' ' LYS . 60.3 m-85 -139.83 -31.45 0.66 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.5 -0.75 . . . . 0.0 109.612 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.899 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.17 0.51 . . . . 0.0 110.252 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' A' ' 1' ' ' LYS . 1.4 mt 56.9 117.13 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.406 -0.809 . . . . 0.0 110.663 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -117.39 44.72 2.06 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.434 -0.791 . . . . 0.0 109.859 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.517 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -85.44 21.21 1.82 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.2 -0.938 . . . . 0.0 110.654 -179.557 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.57 -25.77 1.88 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.146 -0.971 . . . . 0.0 109.833 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -85.25 -24.54 27.74 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.57 0.7 . . . . 0.0 110.572 179.879 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.517 ' HB3' ' HB2' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -79.11 -6.3 56.14 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.45 -0.781 . . . . 0.0 109.96 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 4' ' ' LEU . 26.6 mt -82.73 -12.78 12.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 121.238 -0.914 . . . . 0.0 109.797 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.72 -0.49 2.87 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.531 HG23 ' HB3' ' A' ' 13' ' ' PHE . 11.3 mt -140.18 28.53 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.075 -1.25 . . . . 0.0 110.063 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.28 -86.4 0.02 OUTLIER Glycine 0 N--CA 1.487 2.049 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -17.87 8.14 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.74 -0.859 . . . . 0.0 110.506 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.531 ' HB3' HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -65.72 -50.18 65.76 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.299 -0.876 . . . . 0.0 109.758 179.827 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 14' ' ' LEU . 7.9 tt -64.0 -15.5 59.5 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 121.722 0.772 . . . . 0.0 109.295 179.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -85.5 -37.48 19.64 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 121.858 0.837 . . . . 0.0 109.981 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -28.94 68.75 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-O 121.588 0.709 . . . . 0.0 110.11 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.76 -15.83 29.47 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.483 -0.761 . . . . 0.0 109.405 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.69 -1.92 57.66 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.62 -0.675 . . . . 0.0 109.948 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.74 -2.68 2.64 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.262 -0.899 . . . . 0.0 110.708 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.16 -0.08 0.6 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.067 -1.021 . . . . 0.0 110.798 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.289 0 O-C-N 119.645 -1.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.5 ' C ' HD12 ' A' ' 2' ' ' LEU . 19.0 mmtt . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.226 0.536 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.5 HD12 ' C ' ' A' ' 1' ' ' LYS . 0.9 OUTLIER 60.55 124.03 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.227 -0.921 . . . . 0.0 110.248 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.12 1.47 44.03 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.343 -0.848 . . . . 0.0 110.446 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -88.81 19.18 4.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.21 -0.931 . . . . 0.0 110.231 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.32 -25.58 49.39 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.281 -0.887 . . . . 0.0 109.982 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -85.18 -7.46 59.04 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.719 -0.613 . . . . 0.0 110.259 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -79.64 -14.56 58.71 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.315 -0.866 . . . . 0.0 110.286 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.4 mt -125.28 -5.86 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.383 -0.823 . . . . 0.0 110.12 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.429 ' C ' HG13 ' A' ' 10' ' ' ILE . . . -89.31 -57.06 1.82 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.429 HG13 ' C ' ' A' ' 9' ' ' GLY . 1.5 mp -126.28 8.98 3.88 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 O-C-N 121.752 -0.852 . . . . 0.0 109.96 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.88 -24.43 35.3 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -85.52 -15.2 43.53 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.458 -1.025 . . . . 0.0 110.202 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.407 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -79.84 -22.97 42.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.381 -0.825 . . . . 0.0 109.515 179.605 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.95 -27.73 39.75 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-O 121.998 0.904 . . . . 0.0 108.835 179.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -83.78 -39.9 19.44 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-O 122.0 0.905 . . . . 0.0 108.943 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -61.02 -15.34 30.92 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.577 0.703 . . . . 0.0 109.434 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.89 -22.09 19.46 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.893 0.854 . . . . 0.0 109.12 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -85.63 -3.21 58.81 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-O 121.371 0.605 . . . . 0.0 109.887 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.444 ' O ' ' CG ' ' A' ' 20' ' ' PHE . 5.0 ttpt -128.97 0.01 5.28 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.39 -0.819 . . . . 0.0 110.202 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.444 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 3.2 m-85 -162.8 -41.37 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.316 -0.865 . . . . 0.0 109.781 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 120.005 -1.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 2' ' ' LEU . 1.6 mtmt . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.176 0.512 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.476 ' HB3' ' O ' ' A' ' 1' ' ' LYS . 0.7 OUTLIER 59.67 130.22 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.379 -0.825 . . . . 0.0 110.152 -179.697 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -109.6 54.88 0.65 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.222 -0.924 . . . . 0.0 110.178 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.41 8.16 7.1 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.399 -0.813 . . . . 0.0 109.904 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.31 -23.49 67.32 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.262 -0.899 . . . . 0.0 109.132 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.82 -2.51 58.62 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.802 -0.561 . . . . 0.0 111.441 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -80.96 -30.37 35.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.996 -1.065 . . . . 0.0 111.372 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.4 mt -108.71 -30.05 2.5 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.822 0 O-C-N 121.111 -0.993 . . . . 0.0 110.112 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.418 ' C ' HG13 ' A' ' 10' ' ' ILE . . . 94.3 -57.3 2.04 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.689 HG23 ' HB3' ' A' ' 13' ' ' PHE . 3.0 mp -139.02 57.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 O-C-N 121.781 -0.834 . . . . 0.0 109.725 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.89 -77.95 0.19 Allowed Glycine 0 N--CA 1.488 2.163 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -78.4 -4.22 47.17 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.632 -0.923 . . . . 0.0 110.87 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.689 ' HB3' HG23 ' A' ' 10' ' ' ILE . 1.2 m-85 -85.34 -27.47 25.86 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.097 -1.002 . . . . 0.0 109.879 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.481 ' N ' HG22 ' A' ' 10' ' ' ILE . 4.0 mt -76.18 -28.05 57.16 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.877 0.846 . . . . 0.0 109.177 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -80.05 -36.5 35.59 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 122.012 0.911 . . . . 0.0 109.018 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.2 p -69.29 -14.07 62.74 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-O 121.671 0.748 . . . . 0.0 109.13 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.24 -31.44 27.0 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.798 0.809 . . . . 0.0 109.104 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.57 -7.29 58.4 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 121.491 0.663 . . . . 0.0 109.702 179.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -131.49 0.2 4.02 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.469 -0.769 . . . . 0.0 110.12 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -165.33 21.25 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.231 -0.918 . . . . 0.0 110.329 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.835 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.6 tttp . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.168 0.509 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.543 HD23 ' H ' ' A' ' 4' ' ' LEU . 2.4 tt -66.8 116.76 8.04 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.161 -0.962 . . . . 0.0 110.203 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -129.32 25.46 5.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.327 -0.858 . . . . 0.0 109.857 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.543 ' H ' HD23 ' A' ' 2' ' ' LEU . 5.8 mp -91.54 36.92 0.95 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.346 -0.846 . . . . 0.0 110.449 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -59.5 -26.07 64.98 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.287 -0.883 . . . . 0.0 109.644 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -85.12 -24.22 28.12 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-O 121.782 0.801 . . . . 0.0 109.371 179.53 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.4 ' HD3' ' CD2' ' A' ' 4' ' ' LEU . 7.1 tttt -85.98 -49.79 7.56 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.89 0.852 . . . . 0.0 110.251 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.451 HG13 ' HB3' ' A' ' 4' ' ' LEU . 40.1 mt -81.83 -3.67 7.12 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 CA-C-O 121.394 0.616 . . . . 0.0 110.513 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.62 -21.63 4.91 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.6 mm -74.78 -9.3 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.442 -1.034 . . . . 0.0 109.902 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.87 -22.23 78.8 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -85.61 -44.49 12.58 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.549 -0.971 . . . . 0.0 110.419 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.01 -34.38 73.27 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.776 0.798 . . . . 0.0 109.711 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.017 HD13 ' O ' ' A' ' 14' ' ' LEU . 3.4 tm? -70.2 -23.6 62.98 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-O 121.75 0.786 . . . . 0.0 109.61 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -82.4 -35.9 27.22 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.857 0.837 . . . . 0.0 109.384 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -14.2 54.13 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.645 0.736 . . . . 0.0 109.627 179.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.97 -15.53 21.06 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.539 -0.726 . . . . 0.0 109.576 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 14' ' ' LEU . 38.0 mtpt -85.68 -5.49 59.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.59 -0.694 . . . . 0.0 109.744 179.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -119.62 -15.31 8.99 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.366 -0.834 . . . . 0.0 110.604 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -152.02 -36.76 0.12 Allowed 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.259 -0.901 . . . . 0.0 109.975 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.394 0 O-C-N 120.031 -1.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.8 tttm . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.253 0.549 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 55.61 -172.9 0.06 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.241 -0.912 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -116.01 42.45 2.35 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.25 -0.906 . . . . 0.0 110.251 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.575 HD22 ' HD3' ' A' ' 7' ' ' LYS . 7.8 mt -89.24 8.7 28.97 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.206 -0.934 . . . . 0.0 110.13 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.01 -21.54 4.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.279 -0.888 . . . . 0.0 110.081 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -81.02 -16.04 54.46 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.602 -0.686 . . . . 0.0 110.041 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.575 ' HD3' HD22 ' A' ' 4' ' ' LEU . 7.1 tttp -85.49 9.15 16.63 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.525 -0.734 . . . . 0.0 110.151 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.3 mm -89.69 -11.76 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.326 -0.859 . . . . 0.0 110.2 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.55 -7.1 2.49 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.8 mt -68.86 -6.56 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.191 -1.182 . . . . 0.0 110.084 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.444 ' O ' ' HG ' ' A' ' 14' ' ' LEU . . . -65.93 -11.16 53.85 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.14 -16.98 38.67 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.43 -1.041 . . . . 0.0 110.01 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.73 -29.45 66.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.456 -0.778 . . . . 0.0 109.931 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.613 HD12 ' C ' ' A' ' 14' ' ' LEU . 3.4 pp -75.05 -20.12 59.7 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.807 0.813 . . . . 0.0 109.314 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -85.76 -40.2 16.32 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.976 0.893 . . . . 0.0 109.722 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 t -67.3 -8.04 29.12 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-O 121.36 0.6 . . . . 0.0 110.189 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.91 -22.95 13.41 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.321 -0.862 . . . . 0.0 109.933 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.56 -0.45 55.05 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.568 -0.707 . . . . 0.0 110.015 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.24 11.28 1.74 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.304 -0.872 . . . . 0.0 110.259 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -157.0 -35.89 0.08 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.146 -0.971 . . . . 0.0 109.979 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.407 0 O-C-N 119.958 -1.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.0 tttt . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.238 0.542 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.54 112.45 1.28 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.301 -0.875 . . . . 0.0 110.175 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -153.67 70.19 0.83 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.235 -0.916 . . . . 0.0 110.258 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.519 ' O ' HG13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -101.56 -2.8 29.71 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.201 -0.937 . . . . 0.0 110.078 179.814 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -19.96 62.42 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.102 -0.999 . . . . 0.0 109.672 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -86.34 -48.91 8.06 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.603 0.716 . . . . 0.0 111.543 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -13.49 2.72 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.543 -0.723 . . . . 0.0 111.351 -178.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 4' ' ' LEU . 26.8 mt -93.76 -6.11 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.097 -1.002 . . . . 0.0 109.92 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.43 ' C ' HG13 ' A' ' 10' ' ' ILE . . . -80.41 -64.19 1.86 Allowed Glycine 0 N--CA 1.488 2.144 0 N-CA-C 108.956 -1.657 . . . . 0.0 108.956 179.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.43 HG13 ' C ' ' A' ' 9' ' ' GLY . 5.7 mt -126.67 2.5 3.94 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 O-C-N 121.838 -0.801 . . . . 0.0 110.008 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.2 -11.69 75.52 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.366 -1.493 . . . . 0.0 109.366 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -85.09 -20.89 29.66 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.393 -1.063 . . . . 0.0 109.859 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -34.4 65.47 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.639 0.733 . . . . 0.0 109.908 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.493 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 1.7 tp -72.52 -23.55 61.03 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-O 121.83 0.824 . . . . 0.0 109.196 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -86.63 -41.57 14.14 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 122.105 0.955 . . . . 0.0 109.568 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 t -56.33 -27.21 55.04 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.518 0.675 . . . . 0.0 110.193 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.15 -22.25 14.24 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.502 -0.749 . . . . 0.0 109.869 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 14' ' ' LEU . 13.6 tttt -84.41 0.37 49.71 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.596 -0.69 . . . . 0.0 109.642 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.87 6.5 2.67 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.368 -0.833 . . . . 0.0 110.024 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -157.24 22.35 0.3 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.263 -0.898 . . . . 0.0 109.732 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.301 0 O-C-N 119.915 -1.741 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.238 0.542 . . . . 0.0 110.089 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.08 99.15 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.155 -0.965 . . . . 0.0 110.542 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.83 19.34 20.62 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.191 -0.943 . . . . 0.0 109.98 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.56 14.28 5.84 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.301 -0.874 . . . . 0.0 110.341 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.562 ' HA ' ' CD1' ' A' ' 8' ' ' ILE . 1.1 m-85 -46.38 -25.17 0.6 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.209 -0.932 . . . . 0.0 109.667 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -49.9 67.06 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-O 121.415 0.626 . . . . 0.0 111.047 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.62 26.87 0.9 Allowed 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.361 -0.837 . . . . 0.0 111.884 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.562 ' CD1' ' HA ' ' A' ' 5' ' ' PHE . 16.1 mt -68.55 -7.66 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 120.784 -1.197 . . . . 0.0 110.366 179.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.65 3.31 8.54 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.426 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 1.1 mp -70.44 -3.61 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.13 -1.218 . . . . 0.0 110.146 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.25 -15.3 76.86 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.95 -17.47 37.61 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.448 -1.03 . . . . 0.0 109.509 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -68.26 -47.01 68.87 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 122.057 0.932 . . . . 0.0 108.949 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.773 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.7 tm? -55.19 -25.4 32.53 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.999 0.904 . . . . 0.0 108.9 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -85.78 -40.57 15.91 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-O 122.013 0.911 . . . . 0.0 109.539 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.03 -37.93 16.04 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.727 0.775 . . . . 0.0 109.688 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.59 -21.13 30.49 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 121.705 0.764 . . . . 0.0 109.55 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -85.96 -10.84 54.48 Favored 'General case' 0 C--N 1.3 -1.587 0 CA-C-O 121.498 0.666 . . . . 0.0 109.917 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -138.28 6.34 2.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.616 -0.677 . . . . 0.0 109.905 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -164.93 24.74 0.06 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.338 -0.851 . . . . 0.0 109.896 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 119.913 -1.742 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 2' ' ' LEU . 11.4 tptm . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.146 0.498 . . . . 0.0 110.177 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER 60.67 121.3 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.211 -0.931 . . . . 0.0 110.078 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.41 44.26 1.99 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.058 -1.026 . . . . 0.0 110.918 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.63 7.82 16.24 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.039 -1.038 . . . . 0.0 109.794 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.92 -23.02 67.1 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.993 0.902 . . . . 0.0 109.495 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.86 -19.17 60.27 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 121.338 0.59 . . . . 0.0 110.803 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -82.41 13.47 3.59 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.358 -0.839 . . . . 0.0 110.543 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.5 mt -109.28 -5.32 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.068 -1.02 . . . . 0.0 110.439 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.12 -27.12 68.45 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.512 ' O ' HG22 ' A' ' 10' ' ' ILE . 22.8 mm -81.17 4.24 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.502 -0.999 . . . . 0.0 110.628 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.86 -13.69 59.7 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -85.16 -25.53 27.38 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.382 -1.069 . . . . 0.0 110.38 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.06 -35.96 77.12 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.766 0.794 . . . . 0.0 109.466 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.496 ' HA ' HD22 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -66.11 -31.57 72.51 Favored 'General case' 0 C--N 1.292 -1.905 0 CA-C-O 121.997 0.903 . . . . 0.0 108.925 179.255 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 18' ' ' LYS . 6.1 t-80 -84.87 -46.02 11.72 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 122.092 0.948 . . . . 0.0 109.321 178.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -41.45 -61.84 0.98 Allowed 'General case' 0 C--N 1.294 -1.834 0 CA-C-O 121.728 0.775 . . . . 0.0 110.158 179.702 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' N ' ' OG ' ' A' ' 16' ' ' SER . . . -68.05 -11.61 59.31 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.63 -0.669 . . . . 0.0 109.986 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 14' ' ' LEU . 3.3 ttpt -81.63 -28.88 33.44 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.399 -0.813 . . . . 0.0 109.917 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -112.49 6.05 18.34 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.632 -0.668 . . . . 0.0 109.804 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -157.84 20.38 0.26 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.358 -0.839 . . . . 0.0 109.881 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 119.919 -1.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.506 ' O ' ' O ' ' A' ' 2' ' ' LEU . 24.7 mtmt . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.002 0.429 . . . . 0.0 110.085 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.506 ' O ' ' O ' ' A' ' 1' ' ' LYS . 5.5 mp 57.16 145.5 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.52 -0.737 . . . . 0.0 110.522 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -88.04 -4.55 58.77 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.104 -0.997 . . . . 0.0 110.041 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.532 ' O ' HG13 ' A' ' 8' ' ' ILE . 5.3 mp -91.2 20.69 4.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.456 -0.778 . . . . 0.0 109.937 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.537 ' HA ' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -44.39 -26.59 0.35 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.287 -0.883 . . . . 0.0 109.469 179.62 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 4' ' ' LEU . 3.1 mptt -62.84 -42.52 99.77 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.581 0.705 . . . . 0.0 110.023 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -85.38 27.58 0.8 Allowed 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.671 -0.643 . . . . 0.0 111.213 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' A' ' 5' ' ' PHE . 3.8 mt -126.88 -6.0 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 120.969 -1.082 . . . . 0.0 110.571 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.54 -81.13 0.05 OUTLIER Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.497 HD12 ' N ' ' A' ' 10' ' ' ILE . 4.3 mp -138.26 58.8 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.814 0 O-C-N 121.717 -0.873 . . . . 0.0 110.543 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -100.87 -37.06 3.77 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 7.9 tptt -84.49 -14.33 49.43 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.617 -0.931 . . . . 0.0 109.739 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.93 -37.77 58.35 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.77 0.795 . . . . 0.0 109.653 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.497 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -69.98 -19.09 63.36 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-O 121.799 0.809 . . . . 0.0 109.15 179.132 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -85.85 -43.19 13.48 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 122.069 0.937 . . . . 0.0 109.76 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 88.0 p -59.38 -19.76 49.55 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-O 121.413 0.625 . . . . 0.0 110.529 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.41 -19.11 18.67 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.245 -0.909 . . . . 0.0 109.691 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.34 -4.48 59.18 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.509 -0.744 . . . . 0.0 109.918 179.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 tttp -136.97 9.88 3.05 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.341 -0.85 . . . . 0.0 110.179 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -165.2 21.07 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.215 -0.928 . . . . 0.0 110.154 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.274 0 O-C-N 119.834 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.44 ' HD2' ' HG2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.249 0.547 . . . . 0.0 110.161 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.6 mp -115.17 117.9 31.82 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.178 -0.951 . . . . 0.0 110.318 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.44 ' HG2' ' HD2' ' A' ' 1' ' ' LYS . 26.4 mttt -99.02 1.19 45.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.271 -0.893 . . . . 0.0 110.216 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.43 HD23 ' C ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -57.74 -18.66 22.62 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.129 -0.982 . . . . 0.0 110.048 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.506 ' CD1' HD12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -61.7 -17.84 57.27 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 178.572 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -69.32 -21.03 63.87 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 121.591 0.71 . . . . 0.0 109.511 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.452 ' HA ' HD12 ' A' ' 10' ' ' ILE . 8.4 tttp -85.14 23.82 1.2 Allowed 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.624 -0.672 . . . . 0.0 110.401 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.506 HD12 ' CD1' ' A' ' 5' ' ' PHE . 4.7 mt -117.2 -7.25 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.072 -1.017 . . . . 0.0 110.112 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -121.94 13.45 9.15 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.695 ' O ' HG22 ' A' ' 10' ' ' ILE . 66.0 mt -94.16 38.89 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.347 -1.09 . . . . 0.0 110.591 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.82 -86.97 0.07 OUTLIER Glycine 0 N--CA 1.487 2.082 0 N-CA-C 109.105 -1.598 . . . . 0.0 109.105 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -74.53 -10.82 59.92 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 121.703 -0.881 . . . . 0.0 109.954 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.428 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -60.17 -26.5 66.38 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.992 0.901 . . . . 0.0 108.703 179.197 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -80.62 -23.09 40.02 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-O 121.956 0.884 . . . . 0.0 108.697 178.849 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.01 -40.67 15.56 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.766 0.794 . . . . 0.0 109.591 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 t -71.2 -10.71 60.2 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 121.518 0.675 . . . . 0.0 109.902 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.68 -18.17 18.19 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.556 -0.715 . . . . 0.0 109.703 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.61 -11.84 58.1 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.619 0.723 . . . . 0.0 109.582 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.03 6.8 9.78 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.669 -0.645 . . . . 0.0 109.685 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -153.4 -36.24 0.1 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.409 -0.807 . . . . 0.0 109.873 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 119.966 -1.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_