data_1f0f_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 1f0f _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 core ' A' A ' 4' ' ' LEU . . . . . 0.434 ' O ' HD11 ' A' ' 4' ' ' LEU . 1.2 pp . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.512 0.672 . . . . 0.0 109.781 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.84 -17.32 22.78 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.423 -0.798 . . . . 0.0 108.855 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.438 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -66.51 -32.75 74.3 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.649 0.737 . . . . 0.0 109.11 179.241 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.484 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -62.15 -30.68 71.21 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.171 179.207 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 80.3 mt -69.8 -18.36 21.98 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.787 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -70.94 -25.91 62.95 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.421 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.484 ' HB3' ' O ' ' A' ' 7' ' ' LYS . 4.8 t80 -63.27 -28.49 70.06 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 6.0 mt -69.02 -29.09 67.18 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.866 0.841 . . . . 0.0 109.158 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -76.99 -33.99 57.56 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-O 121.981 0.896 . . . . 0.0 108.617 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.28 -24.58 62.18 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.538 0 CA-C-O 121.606 0.717 . . . . 0.0 109.107 178.913 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.282 0.563 . . . . 0.0 110.507 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.35 -13.35 62.21 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.285 -0.884 . . . . 0.0 109.569 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -85.5 -16.86 38.16 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.803 -0.759 . . . . 0.0 109.03 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.39 -24.44 46.31 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.3 mm -73.56 -19.65 18.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 119.483 -0.887 . . . . 0.0 108.828 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -77.45 -15.94 59.04 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.143 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -78.64 -35.87 44.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.479 -0.763 . . . . 0.0 109.546 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.67 -17.02 60.1 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -74.6 -36.98 63.0 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.5 -21.93 11.44 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.036 179.435 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.474 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 10.4 tp . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.378 0.609 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -68.47 -8.46 41.12 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.212 -0.93 . . . . 0.0 109.917 179.843 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.456 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.1 tttt -83.49 -26.65 30.04 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.356 -0.84 . . . . 0.0 108.967 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -21.45 60.99 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.0 mt -77.69 -15.98 14.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -82.72 -21.29 34.84 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.905 -0.718 . . . . 0.0 109.204 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 10' ' ' PHE . 15.2 t80 -79.93 -25.37 40.53 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.671 -0.812 . . . . 0.0 108.992 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.8 mt -79.88 -18.66 50.14 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.728 0.775 . . . . 0.0 109.317 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -84.12 -30.33 26.02 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 122.02 0.914 . . . . 0.0 108.761 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -22.16 61.23 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.398 0.618 . . . . 0.0 109.381 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.503 -0.748 . . . . 0.0 109.429 179.067 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.389 0.614 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.67 -5.87 51.92 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.293 -0.879 . . . . 0.0 109.062 178.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -86.06 -26.67 25.19 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.815 0.817 . . . . 0.0 109.014 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.461 ' O ' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -73.64 -20.88 60.46 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.016 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 85.1 mt -75.82 -19.5 15.59 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -74.68 -30.86 61.73 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.441 179.478 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -69.42 -28.13 65.87 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 121.824 0.821 . . . . 0.0 108.892 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 7' ' ' LYS . 2.9 mp -71.72 -42.38 67.39 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.967 0.889 . . . . 0.0 109.064 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -69.4 -34.79 75.02 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-O 122.105 0.955 . . . . 0.0 108.427 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.6 t -69.44 -20.75 63.77 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.518 0 CA-C-O 121.624 0.726 . . . . 0.0 109.405 179.227 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.6 tt . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.03 0.443 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.27 -10.25 40.42 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.148 -0.97 . . . . 0.0 109.74 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -83.13 -23.08 33.14 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.15 -21.6 62.16 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.478 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 70.5 mt -70.7 -16.36 19.64 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 CA-C-O 121.602 0.715 . . . . 0.0 109.085 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -78.27 -26.04 46.97 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.252 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -73.13 -20.64 60.89 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' HB3' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -68.37 -23.87 64.72 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.621 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -82.23 -30.94 30.5 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.821 0.819 . . . . 0.0 109.311 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.69 -20.66 46.03 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.482 0 CA-C-O 121.322 0.582 . . . . 0.0 110.209 179.483 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.7 tp . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.265 0.555 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -13.01 61.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.324 -0.86 . . . . 0.0 109.778 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.37 -22.32 38.44 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.436 -0.79 . . . . 0.0 108.985 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.404 ' HA ' ' HE2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -72.14 -30.45 65.04 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.718 -0.793 . . . . 0.0 109.035 178.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.433 HG22 HD11 ' A' ' 8' ' ' ILE . 52.7 mt -73.45 -11.95 15.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 C-N-CA 119.584 -0.846 . . . . 0.0 108.969 178.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -82.61 -24.91 33.64 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.669 0.747 . . . . 0.0 109.137 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -21.43 56.8 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.686 0.755 . . . . 0.0 109.007 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.29 -20.5 47.88 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.746 0.784 . . . . 0.0 109.197 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -77.92 -30.5 50.61 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-O 122.032 0.92 . . . . 0.0 108.755 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.2 t -63.94 -35.69 81.51 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.718 0.77 . . . . 0.0 109.424 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.645 0 CA-C-O 121.617 0.723 . . . . 0.0 109.463 179.161 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 120.894 0.378 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -10.62 20.87 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.895 -1.128 . . . . 0.0 109.928 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.03 -23.3 35.99 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.349 -0.844 . . . . 0.0 108.763 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -73.59 -18.46 61.06 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.2 mm -78.39 -19.06 13.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -73.64 -27.95 61.53 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -68.19 -17.59 64.37 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tp -74.33 -23.26 59.02 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 121.663 0.744 . . . . 0.0 109.68 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -78.37 -29.53 47.47 Favored 'General case' 0 C--N 1.294 -1.84 0 C-N-CA 119.759 -0.776 . . . . 0.0 109.452 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.55 -23.11 63.52 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.598 -0.688 . . . . 0.0 110.002 179.369 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 2.6 tt . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 121.103 0.478 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -66.6 -14.22 62.11 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.969 -1.082 . . . . 0.0 109.87 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -79.79 -24.07 41.69 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -76.11 -17.67 59.49 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 119.861 -0.735 . . . . 0.0 109.019 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 22.1 mt -77.48 -25.29 14.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.356 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -76.65 -22.93 53.38 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.494 -0.882 . . . . 0.0 108.723 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.12 -12.49 60.0 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 tt -86.17 -13.63 46.46 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -84.08 -31.37 25.36 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 121.818 0.818 . . . . 0.0 109.058 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -71.67 -35.3 70.26 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.703 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.69 178.836 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.15 0.5 . . . . 0.0 110.364 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.517 ' HA ' ' HB ' ' A' ' 8' ' ' ILE . 0.6 OUTLIER -62.03 -13.02 21.95 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.276 -0.969 . . . . 0.0 109.572 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -54.53 10.05 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.477 -0.765 . . . . 0.0 109.209 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -69.43 -15.45 63.29 Favored 'General case' 0 C--N 1.294 -1.822 0 C-N-CA 119.566 -0.854 . . . . 0.0 108.79 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.517 ' HB ' ' HA ' ' A' ' 5' ' ' PHE . 4.5 mm -84.38 -26.03 7.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -68.93 -24.46 64.29 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.24 -27.31 32.54 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 tp -85.06 -19.46 31.9 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -80.03 -36.12 36.25 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.9 m -71.57 -29.17 64.42 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.771 0.796 . . . . 0.0 108.874 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.6 0 CA-C-O 121.493 0.663 . . . . 0.0 109.956 179.289 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 tp . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.276 0.56 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -14.42 61.92 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.269 -0.895 . . . . 0.0 109.314 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -77.71 -21.03 52.55 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 121.7 0.762 . . . . 0.0 109.106 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -80.31 -18.74 48.36 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.693 0.758 . . . . 0.0 109.191 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.7 mt -85.39 -22.72 7.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-O 121.726 0.774 . . . . 0.0 109.17 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.93 -23.13 25.24 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.846 0.831 . . . . 0.0 108.83 179.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -89.53 -17.94 27.6 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.42 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -90.22 -17.24 27.88 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.413 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -86.45 -30.64 21.89 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.789 0.805 . . . . 0.0 108.86 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.6 m -78.67 -22.6 46.55 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.424 0.631 . . . . 0.0 109.959 179.328 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.436 ' O ' HD11 ' A' ' 4' ' ' LEU . 2.6 pp . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.236 0.541 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -56.15 -18.0 8.8 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.188 -0.945 . . . . 0.0 109.623 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -70.95 -39.58 72.52 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.545 0.688 . . . . 0.0 109.953 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -13.31 61.43 Favored 'General case' 0 C--N 1.293 -1.849 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.075 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.2 mt -84.18 -22.7 7.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 178.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.52 -19.68 55.41 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -83.24 -16.31 46.91 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.752 0.787 . . . . 0.0 108.877 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.8 -36.04 28.83 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.955 0.883 . . . . 0.0 109.086 178.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -67.9 -32.3 72.67 Favored 'General case' 0 C--N 1.29 -2.012 0 CA-C-O 121.829 0.823 . . . . 0.0 108.931 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 t -67.46 -17.55 64.74 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.602 0.715 . . . . 0.0 109.151 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.62 0.724 . . . . 0.0 109.896 179.477 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.401 ' HG ' ' HB2' ' A' ' 7' ' ' LYS . 1.2 tp . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.118 0.485 . . . . 0.0 110.412 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -16.04 26.68 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.182 -0.949 . . . . 0.0 109.256 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -73.65 -21.88 60.14 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -71.48 -30.21 65.72 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 121.5 0.667 . . . . 0.0 109.726 179.297 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.8 mt -73.14 -30.67 32.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 CA-C-O 121.912 0.863 . . . . 0.0 109.093 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -23.43 61.89 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-O 121.647 0.737 . . . . 0.0 109.328 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -30.97 59.6 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.315 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 mt -83.29 -17.44 42.52 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 121.827 0.822 . . . . 0.0 109.026 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -89.16 -30.29 18.69 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.3 p -75.69 -19.35 59.18 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 121.483 0.659 . . . . 0.0 109.885 179.156 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.207 0.527 . . . . 0.0 110.003 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.33 -23.41 1.42 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.252 -0.905 . . . . 0.0 109.97 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -78.45 -18.11 55.37 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.472 -0.767 . . . . 0.0 109.388 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 4' ' ' LEU . 5.4 tttp -83.03 -25.44 32.15 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.4 mm -78.97 -16.96 13.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.429 ' CD ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -74.87 -29.97 61.18 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.783 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.466 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 2.2 t80 -72.3 -15.81 61.9 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.104 178.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.416 HD22 ' C ' ' A' ' 11' ' ' LEU . 6.2 tt -81.58 -19.9 40.99 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.524 0.678 . . . . 0.0 109.42 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -83.72 -32.93 25.24 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.838 0.828 . . . . 0.0 109.125 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -79.68 -17.94 52.5 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 10' ' ' PHE . . . . . . . . 0 C--N 1.302 -1.458 0 CA-C-O 121.415 0.626 . . . . 0.0 109.883 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.2 tp . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.227 0.537 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -17.96 10.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.186 -0.946 . . . . 0.0 109.586 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -19.79 57.85 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.684 0.755 . . . . 0.0 109.06 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -78.51 -21.28 49.13 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.688 0.756 . . . . 0.0 109.087 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.7 mm -80.01 -20.06 12.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -79.55 -20.23 47.56 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -77.82 -21.03 52.16 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tt -81.86 -15.33 54.41 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.934 -0.707 . . . . 0.0 109.135 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -84.5 -33.41 23.56 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 121.822 0.82 . . . . 0.0 109.016 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.12 -23.51 59.31 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.739 0.781 . . . . 0.0 108.893 178.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.559 0 CA-C-O 121.493 0.663 . . . . 0.0 109.923 179.416 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 26.0 tp . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.334 0.588 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -70.18 -11.48 60.92 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.38 -0.928 . . . . 0.0 109.233 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -73.18 -31.7 64.38 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -21.75 47.38 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.485 HG21 HD12 ' A' ' 8' ' ' ILE . 43.1 mt -82.47 -18.93 10.67 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.64 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.66 -36.55 57.26 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -74.03 -15.05 61.1 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.444 ' N ' HD13 ' A' ' 11' ' ' LEU . 2.9 mp -83.93 -30.2 26.51 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -71.58 -33.54 69.14 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-O 122.033 0.921 . . . . 0.0 108.792 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.9 t -66.82 -29.36 69.27 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.714 0.769 . . . . 0.0 109.363 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.607 0 CA-C-O 121.466 0.65 . . . . 0.0 109.789 179.312 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.453 HD22 ' HE3' ' A' ' 7' ' ' LYS . 3.0 mp . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 121.077 0.465 . . . . 0.0 110.43 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.58 -24.89 0.38 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.023 -1.048 . . . . 0.0 110.411 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -73.72 -43.47 59.12 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.418 -0.801 . . . . 0.0 109.162 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.453 ' HE3' HD22 ' A' ' 4' ' ' LEU . 2.2 mttt -67.05 -20.42 65.84 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.497 HD12 HG23 ' A' ' 8' ' ' ILE . 14.8 mt -76.97 -20.87 14.51 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -66.9 -39.41 87.44 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 121.829 0.823 . . . . 0.0 108.843 178.843 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -62.83 -29.38 70.69 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 8' ' ' ILE . 7.7 mt -81.19 -10.06 59.69 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.464 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 1.3 m170 -86.97 -29.59 21.92 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.848 0.832 . . . . 0.0 108.87 178.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.21 -26.28 58.84 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.973 0.892 . . . . 0.0 108.624 178.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.644 0.735 . . . . 0.0 109.835 179.267 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.9 mt . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.14 0.495 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -75.29 -12.26 60.24 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.075 -1.015 . . . . 0.0 110.009 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -37.31 24.87 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.913 0.864 . . . . 0.0 109.183 179.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -75.41 -15.44 60.45 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.5 mm -83.92 -24.19 7.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -76.84 -33.94 57.88 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.555 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.2 m-30 -69.25 -24.9 64.05 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.62 -21.93 57.3 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.893 0.854 . . . . 0.0 108.852 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 2.3 m170 -78.06 -31.63 50.4 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 122.009 0.909 . . . . 0.0 108.795 178.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 t -70.75 -29.94 66.32 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-O 121.78 0.8 . . . . 0.0 109.15 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.638 0 O-C-N 121.647 -0.658 . . . . 0.0 109.643 179.207 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.384 0.612 . . . . 0.0 109.818 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -74.24 -8.42 56.14 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.39 -0.818 . . . . 0.0 108.794 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.24 -31.49 49.24 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.401 ' O ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -68.1 -18.74 64.73 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 119.91 -0.716 . . . . 0.0 109.231 179.288 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.508 HG22 HD12 ' A' ' 8' ' ' ILE . 28.2 mm -75.95 -28.19 18.82 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 C-N-CA 119.629 -0.828 . . . . 0.0 109.016 178.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -74.06 -18.46 60.83 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -76.67 -31.51 57.35 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.643 0.735 . . . . 0.0 109.156 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 7' ' ' LYS . 2.6 mp -72.14 -19.4 61.78 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -75.6 -37.33 59.92 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.791 0.805 . . . . 0.0 108.833 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -17.73 64.56 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.398 0 O-C-N 121.647 -0.658 . . . . 0.0 109.772 179.582 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 121.404 0.621 . . . . 0.0 110.118 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.46 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -46.02 -24.32 0.41 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.401 -0.812 . . . . 0.0 110.12 179.767 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -70.48 -44.47 67.62 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.51 -0.744 . . . . 0.0 109.386 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -22.5 65.23 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 178.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.46 ' HB ' ' O ' ' A' ' 5' ' ' PHE . 26.9 mm -71.22 -26.36 26.9 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -16.22 63.2 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -76.39 -27.23 56.26 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.764 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.527 ' CD2' ' O ' ' A' ' 11' ' ' LEU . 6.3 tt -77.63 -19.96 54.64 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.775 0.798 . . . . 0.0 108.923 179.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -80.86 -38.09 28.73 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.937 0.875 . . . . 0.0 108.688 178.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.1 m -69.68 -17.96 63.52 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 121.73 0.776 . . . . 0.0 109.339 179.08 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.429 ' O ' HD11 ' A' ' 4' ' ' LEU . 3.1 pp . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.257 0.551 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -53.14 -19.63 3.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.338 -0.851 . . . . 0.0 109.875 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -77.76 -22.87 49.58 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.362 -0.836 . . . . 0.0 109.336 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -78.58 -24.11 45.67 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.635 0.731 . . . . 0.0 109.423 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.494 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 27.6 mm -80.18 -23.89 11.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.73 -18.31 48.2 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -75.64 -24.87 56.47 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.494 ' CD1' ' HA ' ' A' ' 8' ' ' ILE . 16.3 mt -71.85 -22.44 61.53 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.779 0.799 . . . . 0.0 109.174 178.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -73.53 -35.73 65.59 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-O 121.709 0.766 . . . . 0.0 109.717 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -23.21 60.93 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.835 0.826 . . . . 0.0 109.193 179.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.552 0 CA-C-O 121.471 0.653 . . . . 0.0 109.915 179.528 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.35 0.595 . . . . 0.0 110.199 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.544 ' CD1' ' HG2' ' A' ' 3' ' ' LYS . 28.0 t-105 -127.14 -57.8 1.3 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.29 -0.882 . . . . 0.0 110.129 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.544 ' HG2' ' CD1' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -165.29 87.92 0.43 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.262 -0.899 . . . . 0.0 110.489 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.434 ' O ' HD11 ' A' ' 4' ' ' LEU . 1.2 pp -81.44 -13.34 58.34 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.049 -1.032 . . . . 0.0 109.781 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.84 -17.32 22.78 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.423 -0.798 . . . . 0.0 108.855 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.438 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -66.51 -32.75 74.3 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.649 0.737 . . . . 0.0 109.11 179.241 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.484 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -62.15 -30.68 71.21 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.171 179.207 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 80.3 mt -69.8 -18.36 21.98 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.787 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -70.94 -25.91 62.95 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.421 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.484 ' HB3' ' O ' ' A' ' 7' ' ' LYS . 4.8 t80 -63.27 -28.49 70.06 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 6.0 mt -69.02 -29.09 67.18 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.866 0.841 . . . . 0.0 109.158 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -76.99 -33.99 57.56 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-O 121.981 0.896 . . . . 0.0 108.617 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.28 -24.58 62.18 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.71 -13.55 56.17 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.606 0.717 . . . . 0.0 109.107 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.435 ' HG2' ' N ' ' A' ' 16' ' ' LYS . 31.9 tttt -64.07 -102.47 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.73 -0.606 . . . . 0.0 109.714 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.435 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 2.0 mtpt -74.57 118.7 17.83 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.022 -1.049 . . . . 0.0 110.032 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -119.11 59.91 0.83 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.256 -0.903 . . . . 0.0 110.335 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.398 0 O-C-N 119.871 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.256 0.55 . . . . 0.0 110.209 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 3.5 p-90 -148.46 -32.06 0.25 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.345 -0.847 . . . . 0.0 110.653 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -130.12 74.57 1.6 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.002 -1.061 . . . . 0.0 109.949 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.43 -8.17 58.92 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.407 -0.808 . . . . 0.0 110.507 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.35 -13.35 62.21 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.285 -0.884 . . . . 0.0 109.569 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -85.5 -16.86 38.16 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.803 -0.759 . . . . 0.0 109.03 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.39 -24.44 46.31 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.3 mm -73.56 -19.65 18.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 119.483 -0.887 . . . . 0.0 108.828 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -77.45 -15.94 59.04 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.143 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -78.64 -35.87 44.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.479 -0.763 . . . . 0.0 109.546 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.67 -17.02 60.1 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.432 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 9.6 m170 -74.6 -36.98 63.0 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.5 -21.93 11.44 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.452 ' O ' ' O ' ' A' ' 15' ' ' LYS . . . -69.71 -19.52 63.56 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.036 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 16' ' ' LYS . 10.7 pttp -56.01 -160.36 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.552 -0.718 . . . . 0.0 110.276 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -42.83 166.14 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.282 -0.886 . . . . 0.0 110.128 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.41 -67.99 0.9 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.204 -0.935 . . . . 0.0 110.304 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.846 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.269 0.557 . . . . 0.0 110.166 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 41.2 p90 -172.49 37.28 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.147 -0.971 . . . . 0.0 110.218 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.04 50.07 0.84 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.283 -0.886 . . . . 0.0 110.067 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.474 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 10.4 tp -86.1 -7.62 58.46 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.502 -0.749 . . . . 0.0 109.98 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -68.47 -8.46 41.12 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.212 -0.93 . . . . 0.0 109.917 179.843 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.456 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.1 tttt -83.49 -26.65 30.04 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.356 -0.84 . . . . 0.0 108.967 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -21.45 60.99 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.0 mt -77.69 -15.98 14.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -82.72 -21.29 34.84 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.905 -0.718 . . . . 0.0 109.204 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 10' ' ' PHE . 15.2 t80 -79.93 -25.37 40.53 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.671 -0.812 . . . . 0.0 108.992 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.8 mt -79.88 -18.66 50.14 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.728 0.775 . . . . 0.0 109.317 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -84.12 -30.33 26.02 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 122.02 0.914 . . . . 0.0 108.761 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -22.16 61.23 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.398 0.618 . . . . 0.0 109.381 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.1 -15.54 46.97 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.503 -0.748 . . . . 0.0 109.429 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.28 -88.01 0.06 Allowed 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.626 -0.671 . . . . 0.0 110.039 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -85.38 140.12 31.01 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.857 -1.152 . . . . 0.0 109.795 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -155.86 89.28 1.15 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.186 -0.946 . . . . 0.0 110.436 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.751 -1.843 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 121.13 0.49 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.78 111.69 20.1 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.006 -1.059 . . . . 0.0 109.997 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -125.98 141.71 51.85 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.345 -0.847 . . . . 0.0 110.107 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.05 -12.21 60.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.161 -0.962 . . . . 0.0 110.123 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.67 -5.87 51.92 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.293 -0.879 . . . . 0.0 109.062 178.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -86.06 -26.67 25.19 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.815 0.817 . . . . 0.0 109.014 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.461 ' O ' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -73.64 -20.88 60.46 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.016 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 85.1 mt -75.82 -19.5 15.59 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -74.68 -30.86 61.73 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.441 179.478 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -69.42 -28.13 65.87 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 121.824 0.821 . . . . 0.0 108.892 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 7' ' ' LYS . 2.9 mp -71.72 -42.38 67.39 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.967 0.889 . . . . 0.0 109.064 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -69.4 -34.79 75.02 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-O 122.105 0.955 . . . . 0.0 108.427 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.6 t -69.44 -20.75 63.77 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.16 -16.4 53.04 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 121.624 0.726 . . . . 0.0 109.405 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -81.06 -24.11 38.06 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.635 0.731 . . . . 0.0 109.724 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -86.09 95.01 9.4 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.649 -0.657 . . . . 0.0 110.302 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -74.3 156.96 36.6 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 120.94 -1.1 . . . . 0.0 110.331 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 119.848 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 2' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 121.331 0.586 . . . . 0.0 110.327 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.471 ' CB ' ' O ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER 67.7 165.1 0.23 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.191 -0.943 . . . . 0.0 110.058 -179.695 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.01 -167.21 1.38 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.201 -0.937 . . . . 0.0 110.269 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.6 tt -84.57 -11.82 55.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.276 -0.89 . . . . 0.0 111.105 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.27 -10.25 40.42 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.148 -0.97 . . . . 0.0 109.74 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -83.13 -23.08 33.14 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.15 -21.6 62.16 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.478 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 70.5 mt -70.7 -16.36 19.64 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 CA-C-O 121.602 0.715 . . . . 0.0 109.085 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -78.27 -26.04 46.97 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.252 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -73.13 -20.64 60.89 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' HB3' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -68.37 -23.87 64.72 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.621 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.451 ' HA ' ' HG3' ' A' ' 15' ' ' LYS . 1.8 m170 -82.23 -30.94 30.5 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.821 0.819 . . . . 0.0 109.311 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.69 -20.66 46.03 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . -86.21 -16.1 38.79 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 121.322 0.582 . . . . 0.0 110.209 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' HG3' ' HA ' ' A' ' 12' ' ' HIS . 43.9 mttt -41.41 160.13 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.457 -0.777 . . . . 0.0 110.362 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.461 ' CA ' ' HE2' ' A' ' 16' ' ' LYS . 1.1 mmpt? -49.04 149.83 1.78 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.255 -0.903 . . . . 0.0 110.338 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.01 160.0 20.12 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.162 -0.961 . . . . 0.0 110.452 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.288 0 O-C-N 119.848 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.7 tptm . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.25 0.548 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -157.19 96.71 1.59 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.295 -0.878 . . . . 0.0 109.988 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -109.43 63.2 0.6 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.257 -0.902 . . . . 0.0 110.407 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.7 tp -83.84 8.25 15.44 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.294 -0.879 . . . . 0.0 109.976 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -13.01 61.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.324 -0.86 . . . . 0.0 109.778 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.37 -22.32 38.44 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.436 -0.79 . . . . 0.0 108.985 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.404 ' HA ' ' HE2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -72.14 -30.45 65.04 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.718 -0.793 . . . . 0.0 109.035 178.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.433 HG22 HD11 ' A' ' 8' ' ' ILE . 52.7 mt -73.45 -11.95 15.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 C-N-CA 119.584 -0.846 . . . . 0.0 108.969 178.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -82.61 -24.91 33.64 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.669 0.747 . . . . 0.0 109.137 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -21.43 56.8 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.686 0.755 . . . . 0.0 109.007 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.29 -20.5 47.88 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.746 0.784 . . . . 0.0 109.197 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 15' ' ' LYS . 2.0 m-70 -77.92 -30.5 50.61 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-O 122.032 0.92 . . . . 0.0 108.755 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.2 t -63.94 -35.69 81.51 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.718 0.77 . . . . 0.0 109.424 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.06 -10.86 56.44 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.617 0.723 . . . . 0.0 109.463 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -85.73 -83.85 0.17 Allowed 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 121.659 0.742 . . . . 0.0 110.465 179.8 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.482 ' CD ' ' O ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -45.51 171.8 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.688 -0.632 . . . . 0.0 110.813 -179.639 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.482 ' O ' ' CD ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -112.85 -136.97 0.37 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.44 -0.787 . . . . 0.0 110.192 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.846 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.139 0.495 . . . . 0.0 110.234 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 36.3 p90 -66.79 154.83 39.83 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.253 -0.904 . . . . 0.0 110.182 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.473 ' HG3' ' HB2' ' A' ' 5' ' ' PHE . 2.1 pttp -157.08 173.07 17.56 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.166 -0.959 . . . . 0.0 110.607 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mp -85.38 6.03 28.29 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.298 -0.876 . . . . 0.0 111.16 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.473 ' HB2' ' HG3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -63.78 -10.62 20.87 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.895 -1.128 . . . . 0.0 109.928 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.03 -23.3 35.99 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.349 -0.844 . . . . 0.0 108.763 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -73.59 -18.46 61.06 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.2 mm -78.39 -19.06 13.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -73.64 -27.95 61.53 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -68.19 -17.59 64.37 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tp -74.33 -23.26 59.02 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 121.663 0.744 . . . . 0.0 109.68 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.439 ' HA ' ' HG2' ' A' ' 15' ' ' LYS . 1.6 m170 -78.37 -29.53 47.47 Favored 'General case' 0 C--N 1.294 -1.84 0 C-N-CA 119.759 -0.776 . . . . 0.0 109.452 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.55 -23.11 63.52 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.27 -7.54 58.96 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.598 -0.688 . . . . 0.0 110.002 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.439 ' HG2' ' HA ' ' A' ' 12' ' ' HIS . 35.5 mmtm -44.95 157.14 0.08 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.407 -0.808 . . . . 0.0 110.588 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -74.67 154.87 38.28 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.23 -0.919 . . . . 0.0 110.653 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.415 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 2.6 p90 -84.21 -160.82 0.49 Allowed 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.261 -0.899 . . . . 0.0 110.117 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.856 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.241 0.543 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -118.43 -144.43 0.37 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.178 -0.951 . . . . 0.0 109.922 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.49 ' HE3' ' CB ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -136.9 -168.99 2.38 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.103 -0.998 . . . . 0.0 110.627 179.767 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 2.6 tt -79.06 2.34 20.96 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.319 -0.863 . . . . 0.0 111.18 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.49 ' CB ' ' HE3' ' A' ' 3' ' ' LYS . 31.0 t80 -66.6 -14.22 62.11 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.969 -1.082 . . . . 0.0 109.87 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -79.79 -24.07 41.69 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -76.11 -17.67 59.49 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 119.861 -0.735 . . . . 0.0 109.019 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 22.1 mt -77.48 -25.29 14.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.356 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -76.65 -22.93 53.38 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.494 -0.882 . . . . 0.0 108.723 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.12 -12.49 60.0 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 tt -86.17 -13.63 46.46 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.476 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 1.8 m170 -84.08 -31.37 25.36 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 121.818 0.818 . . . . 0.0 109.058 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -71.67 -35.3 70.26 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 15' ' ' LYS . . . -87.05 4.67 41.08 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.69 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 4.2 tttt -40.67 161.5 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.232 -0.917 . . . . 0.0 110.597 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -80.99 -167.73 1.53 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.444 -0.785 . . . . 0.0 110.485 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.05 62.15 0.08 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.399 -0.813 . . . . 0.0 110.328 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 119.813 -1.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.125 0.488 . . . . 0.0 110.067 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -43.67 -27.46 0.31 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.282 -0.886 . . . . 0.0 110.473 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.65 69.11 1.34 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.237 -0.914 . . . . 0.0 110.298 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.74 -0.71 21.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.186 -0.946 . . . . 0.0 110.364 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.517 ' HA ' ' HB ' ' A' ' 8' ' ' ILE . 0.6 OUTLIER -62.03 -13.02 21.95 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.276 -0.969 . . . . 0.0 109.572 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -54.53 10.05 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.477 -0.765 . . . . 0.0 109.209 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -69.43 -15.45 63.29 Favored 'General case' 0 C--N 1.294 -1.822 0 C-N-CA 119.566 -0.854 . . . . 0.0 108.79 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.517 ' HB ' ' HA ' ' A' ' 5' ' ' PHE . 4.5 mm -84.38 -26.03 7.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -68.93 -24.46 64.29 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.24 -27.31 32.54 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 tp -85.06 -19.46 31.9 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.489 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 10.7 m170 -80.03 -36.12 36.25 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.9 m -71.57 -29.17 64.42 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.771 0.796 . . . . 0.0 108.874 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.3 -8.91 57.36 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.493 0.663 . . . . 0.0 109.956 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.507 ' CE ' ' HB2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -60.92 172.45 0.97 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.357 -0.84 . . . . 0.0 110.344 -179.623 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 15' ' ' LYS . 4.6 mtmm -64.35 100.05 0.33 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.354 -0.841 . . . . 0.0 110.407 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.507 ' HB2' ' CE ' ' A' ' 15' ' ' LYS . 9.5 t80 -163.17 -68.31 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.293 -0.879 . . . . 0.0 110.175 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 66.9 mttt . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.278 0.561 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 34.4 t-105 -108.71 -30.21 8.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.261 -0.899 . . . . 0.0 110.053 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.52 100.8 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.206 -0.934 . . . . 0.0 110.043 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 tp -72.44 -5.52 37.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.175 -0.953 . . . . 0.0 110.165 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -14.42 61.92 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.269 -0.895 . . . . 0.0 109.314 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -77.71 -21.03 52.55 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 121.7 0.762 . . . . 0.0 109.106 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -80.31 -18.74 48.36 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.693 0.758 . . . . 0.0 109.191 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.7 mt -85.39 -22.72 7.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-O 121.726 0.774 . . . . 0.0 109.17 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.93 -23.13 25.24 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.846 0.831 . . . . 0.0 108.83 179.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -89.53 -17.94 27.6 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.42 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -90.22 -17.24 27.88 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.413 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -86.45 -30.64 21.89 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.789 0.805 . . . . 0.0 108.86 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.6 m -78.67 -22.6 46.55 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.97 -15.72 40.65 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.424 0.631 . . . . 0.0 109.959 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.37 161.06 31.68 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.455 -0.778 . . . . 0.0 110.161 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -72.22 58.95 0.39 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.216 -0.927 . . . . 0.0 110.339 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -127.48 129.11 46.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.206 -0.934 . . . . 0.0 110.168 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.806 -1.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.213 0.53 . . . . 0.0 110.355 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.413 ' CD1' ' C ' ' A' ' 2' ' ' TRP . 4.6 t90 -57.51 104.15 0.16 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.314 -0.867 . . . . 0.0 110.055 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 1' ' ' LYS . 0.2 OUTLIER -154.56 53.0 0.66 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.233 -0.917 . . . . 0.0 110.499 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.436 ' O ' HD11 ' A' ' 4' ' ' LEU . 2.6 pp -85.01 5.63 28.56 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.582 -0.699 . . . . 0.0 110.273 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -56.15 -18.0 8.8 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.188 -0.945 . . . . 0.0 109.623 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -70.95 -39.58 72.52 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.545 0.688 . . . . 0.0 109.953 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -13.31 61.43 Favored 'General case' 0 C--N 1.293 -1.849 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.075 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.2 mt -84.18 -22.7 7.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 178.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.52 -19.68 55.41 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -83.24 -16.31 46.91 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.752 0.787 . . . . 0.0 108.877 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.8 -36.04 28.83 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.955 0.883 . . . . 0.0 109.086 178.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.483 ' HA ' ' CD ' ' A' ' 15' ' ' LYS . 2.4 m-70 -67.9 -32.3 72.67 Favored 'General case' 0 C--N 1.29 -2.012 0 CA-C-O 121.829 0.823 . . . . 0.0 108.931 178.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 t -67.46 -17.55 64.74 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.602 0.715 . . . . 0.0 109.151 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.6 -22.34 32.29 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.62 0.724 . . . . 0.0 109.896 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.483 ' CD ' ' HA ' ' A' ' 12' ' ' HIS . 1.8 mttp -85.66 164.93 17.39 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.64 -0.663 . . . . 0.0 110.175 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -66.01 78.8 0.09 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.263 -0.898 . . . . 0.0 110.104 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -46.54 109.44 0.19 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.236 -0.915 . . . . 0.0 110.24 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.872 -1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.22 0.533 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -109.14 -19.6 13.29 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.122 -0.986 . . . . 0.0 110.16 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -50.38 174.55 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.921 . . . . 0.0 110.359 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.401 ' HG ' ' HB2' ' A' ' 7' ' ' LYS . 1.2 tp -82.54 1.72 36.52 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.247 -0.908 . . . . 0.0 110.412 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -16.04 26.68 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.182 -0.949 . . . . 0.0 109.256 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -73.65 -21.88 60.14 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -71.48 -30.21 65.72 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 121.5 0.667 . . . . 0.0 109.726 179.297 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.8 mt -73.14 -30.67 32.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 CA-C-O 121.912 0.863 . . . . 0.0 109.093 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -23.43 61.89 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-O 121.647 0.737 . . . . 0.0 109.328 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -30.97 59.6 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.315 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 mt -83.29 -17.44 42.52 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 121.827 0.822 . . . . 0.0 109.026 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -89.16 -30.29 18.69 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.3 p -75.69 -19.35 59.18 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.38 -16.89 38.35 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.483 0.659 . . . . 0.0 109.885 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -72.91 -70.23 0.37 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.416 -0.803 . . . . 0.0 110.117 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -85.17 106.92 16.97 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-O 121.419 0.628 . . . . 0.0 110.264 179.901 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.76 2.41 34.05 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.111 -0.993 . . . . 0.0 110.37 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 119.917 -1.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.23 0.538 . . . . 0.0 110.128 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.571 ' CD1' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -110.41 -158.75 0.66 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.189 -0.944 . . . . 0.0 110.071 179.774 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.571 ' HD3' ' CD1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -81.63 51.87 1.78 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.204 -0.935 . . . . 0.0 110.379 -179.823 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -85.64 15.41 4.69 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.561 -0.712 . . . . 0.0 110.003 179.607 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.33 -23.41 1.42 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.252 -0.905 . . . . 0.0 109.97 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -78.45 -18.11 55.37 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.472 -0.767 . . . . 0.0 109.388 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 4' ' ' LEU . 5.4 tttp -83.03 -25.44 32.15 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.4 mm -78.97 -16.96 13.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' CD ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -74.87 -29.97 61.18 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.783 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.466 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 2.2 t80 -72.3 -15.81 61.9 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.104 178.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.416 HD22 ' C ' ' A' ' 11' ' ' LEU . 6.2 tt -81.58 -19.9 40.99 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.524 0.678 . . . . 0.0 109.42 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -83.72 -32.93 25.24 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.838 0.828 . . . . 0.0 109.125 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -79.68 -17.94 52.5 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 10' ' ' PHE . . . -85.64 -19.01 31.62 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.415 0.626 . . . . 0.0 109.883 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.43 157.11 0.37 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.366 -0.834 . . . . 0.0 109.75 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.84 136.57 55.62 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.226 -0.921 . . . . 0.0 110.124 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.39 83.19 1.99 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.261 -0.899 . . . . 0.0 110.162 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 119.874 -1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.235 0.541 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -125.7 -65.91 0.97 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.238 -0.914 . . . . 0.0 110.068 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -71.84 115.78 11.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.287 -0.883 . . . . 0.0 110.155 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.2 tp -77.31 3.3 13.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.266 -0.896 . . . . 0.0 110.202 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -17.96 10.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.186 -0.946 . . . . 0.0 109.586 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -19.79 57.85 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.684 0.755 . . . . 0.0 109.06 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -78.51 -21.28 49.13 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.688 0.756 . . . . 0.0 109.087 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.7 mm -80.01 -20.06 12.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -79.55 -20.23 47.56 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -77.82 -21.03 52.16 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tt -81.86 -15.33 54.41 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.934 -0.707 . . . . 0.0 109.135 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -84.5 -33.41 23.56 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 121.822 0.82 . . . . 0.0 109.016 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -74.12 -23.51 59.31 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.739 0.781 . . . . 0.0 108.893 178.838 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.88 -11.56 52.95 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.493 0.663 . . . . 0.0 109.923 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -63.53 -12.57 33.35 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.362 -0.836 . . . . 0.0 110.12 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -85.62 95.57 9.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.509 -0.744 . . . . 0.0 110.232 179.799 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.99 -77.08 0.5 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.149 -0.97 . . . . 0.0 110.221 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 119.84 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.25 0.548 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -74.91 -48.92 22.2 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.263 -0.898 . . . . 0.0 109.95 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.489 ' HD2' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -104.85 142.35 34.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.497 -0.752 . . . . 0.0 110.267 -179.676 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 26.0 tp -82.94 -8.46 59.57 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.245 -0.91 . . . . 0.0 110.009 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -70.18 -11.48 60.92 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.38 -0.928 . . . . 0.0 109.233 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -73.18 -31.7 64.38 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -21.75 47.38 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.485 HG21 HD12 ' A' ' 8' ' ' ILE . 43.1 mt -82.47 -18.93 10.67 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.64 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.66 -36.55 57.26 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -74.03 -15.05 61.1 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.444 ' N ' HD13 ' A' ' 11' ' ' LEU . 2.9 mp -83.93 -30.2 26.51 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -71.58 -33.54 69.14 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-O 122.033 0.921 . . . . 0.0 108.792 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.9 t -66.82 -29.36 69.27 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.714 0.769 . . . . 0.0 109.363 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.35 -7.73 58.82 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.466 0.65 . . . . 0.0 109.789 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 16' ' ' LYS . 4.0 tttt -48.43 -63.16 1.16 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.409 -0.807 . . . . 0.0 110.333 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 15' ' ' LYS . 3.1 pttp -46.82 175.04 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.604 -0.685 . . . . 0.0 110.124 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -122.04 -93.67 0.51 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.142 -0.974 . . . . 0.0 110.52 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.752 -1.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 2' ' ' TRP . 5.2 tttm . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.176 0.512 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.613 ' CG ' ' O ' ' A' ' 2' ' ' TRP . 37.0 t-105 54.52 21.45 3.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.141 -0.974 . . . . 0.0 110.189 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -97.68 41.03 1.14 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.782 -1.199 . . . . 0.0 110.683 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.453 HD22 ' HE3' ' A' ' 7' ' ' LYS . 3.0 mp -87.28 12.95 10.64 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.543 -0.723 . . . . 0.0 110.43 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.58 -24.89 0.38 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.023 -1.048 . . . . 0.0 110.411 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -73.72 -43.47 59.12 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.418 -0.801 . . . . 0.0 109.162 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.453 ' HE3' HD22 ' A' ' 4' ' ' LEU . 2.2 mttt -67.05 -20.42 65.84 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.497 HD12 HG23 ' A' ' 8' ' ' ILE . 14.8 mt -76.97 -20.87 14.51 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -66.9 -39.41 87.44 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 121.829 0.823 . . . . 0.0 108.843 178.843 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -62.83 -29.38 70.69 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 8' ' ' ILE . 7.7 mt -81.19 -10.06 59.69 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.464 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 1.3 m170 -86.97 -29.59 21.92 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.848 0.832 . . . . 0.0 108.87 178.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.21 -26.28 58.84 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.973 0.892 . . . . 0.0 108.624 178.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.51 -20.66 27.72 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.644 0.735 . . . . 0.0 109.835 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.441 ' HG3' ' HA ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -53.42 169.34 0.13 Allowed 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 121.419 0.628 . . . . 0.0 110.592 -179.649 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -174.76 2.3 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.46 -0.775 . . . . 0.0 110.17 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -75.26 176.37 7.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.097 -1.002 . . . . 0.0 110.158 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.326 0 O-C-N 119.857 -1.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.2 tttt . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.354 0.597 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -174.8 0.73 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.431 -0.793 . . . . 0.0 110.174 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -134.23 68.67 1.48 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.244 -0.91 . . . . 0.0 109.717 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.9 mt -82.66 11.12 6.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.451 -0.781 . . . . 0.0 110.601 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -75.29 -12.26 60.24 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.075 -1.015 . . . . 0.0 110.009 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -37.31 24.87 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.913 0.864 . . . . 0.0 109.183 179.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -75.41 -15.44 60.45 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.5 mm -83.92 -24.19 7.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -76.84 -33.94 57.88 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.555 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.2 m-30 -69.25 -24.9 64.05 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.62 -21.93 57.3 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.893 0.854 . . . . 0.0 108.852 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 2.3 m170 -78.06 -31.63 50.4 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 122.009 0.909 . . . . 0.0 108.795 178.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 t -70.75 -29.94 66.32 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-O 121.78 0.8 . . . . 0.0 109.15 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.47 -8.43 58.37 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.647 -0.658 . . . . 0.0 109.643 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -76.96 -127.21 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.538 -0.726 . . . . 0.0 110.046 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -58.24 170.62 0.67 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.004 -1.06 . . . . 0.0 110.313 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -54.38 174.85 0.06 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.328 -0.857 . . . . 0.0 110.247 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 121.226 0.536 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 3.9 m0 47.93 -171.74 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.247 -0.908 . . . . 0.0 110.231 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.435 ' HB3' ' HD3' ' A' ' 6' ' ' LYS . 24.5 mttp -121.33 53.97 1.14 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.289 -0.882 . . . . 0.0 110.688 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.23 -11.98 57.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.118 -0.989 . . . . 0.0 109.818 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -74.24 -8.42 56.14 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.39 -0.818 . . . . 0.0 108.794 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.435 ' HD3' ' HB3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -78.24 -31.49 49.24 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.401 ' O ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -68.1 -18.74 64.73 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 119.91 -0.716 . . . . 0.0 109.231 179.288 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.508 HG22 HD12 ' A' ' 8' ' ' ILE . 28.2 mm -75.95 -28.19 18.82 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 C-N-CA 119.629 -0.828 . . . . 0.0 109.016 178.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -74.06 -18.46 60.83 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -76.67 -31.51 57.35 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.643 0.735 . . . . 0.0 109.156 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 7' ' ' LYS . 2.6 mp -72.14 -19.4 61.78 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -75.6 -37.33 59.92 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.791 0.805 . . . . 0.0 108.833 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -17.73 64.56 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.91 -23.76 58.4 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.647 -0.658 . . . . 0.0 109.772 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.93 151.64 29.75 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.578 -0.849 . . . . 0.0 109.438 179.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.18 148.59 1.76 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.111 -0.993 . . . . 0.0 110.169 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -87.81 101.27 13.54 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.224 -0.922 . . . . 0.0 110.304 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 119.839 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.8 tptm . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.147 0.499 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.577 ' CD1' ' O ' ' A' ' 2' ' ' TRP . 11.9 t90 -61.94 -21.14 64.54 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.244 -0.91 . . . . 0.0 110.316 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.46 -162.3 0.65 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.112 -0.993 . . . . 0.0 110.248 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -86.18 20.66 2.26 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.53 -0.731 . . . . 0.0 110.118 179.444 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.46 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -46.02 -24.32 0.41 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.401 -0.812 . . . . 0.0 110.12 179.767 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -70.48 -44.47 67.62 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.51 -0.744 . . . . 0.0 109.386 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -22.5 65.23 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 178.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.46 ' HB ' ' O ' ' A' ' 5' ' ' PHE . 26.9 mm -71.22 -26.36 26.9 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -16.22 63.2 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -76.39 -27.23 56.26 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.764 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.527 ' CD2' ' O ' ' A' ' 11' ' ' LEU . 6.3 tt -77.63 -19.96 54.64 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.775 0.798 . . . . 0.0 108.923 179.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.432 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 6.8 m-70 -80.86 -38.09 28.73 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.937 0.875 . . . . 0.0 108.688 178.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.1 m -69.68 -17.96 63.52 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.55 -18.94 31.95 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.73 0.776 . . . . 0.0 109.339 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 0.4 OUTLIER -47.07 158.91 0.12 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.671 -0.643 . . . . 0.0 109.992 179.727 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -82.19 -170.12 2.74 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.196 -0.94 . . . . 0.0 110.243 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -71.05 106.61 3.76 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.231 -0.918 . . . . 0.0 110.186 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 119.909 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.305 0.574 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.531 ' N ' ' CD1' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -74.51 -158.86 0.08 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.242 -0.911 . . . . 0.0 110.399 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.51 -168.78 1.92 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.273 -0.892 . . . . 0.0 110.366 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.429 ' O ' HD11 ' A' ' 4' ' ' LEU . 3.1 pp -70.27 -3.05 15.28 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.368 -0.832 . . . . 0.0 110.342 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -53.14 -19.63 3.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.338 -0.851 . . . . 0.0 109.875 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -77.76 -22.87 49.58 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.362 -0.836 . . . . 0.0 109.336 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -78.58 -24.11 45.67 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.635 0.731 . . . . 0.0 109.423 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.494 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 27.6 mm -80.18 -23.89 11.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.73 -18.31 48.2 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -75.64 -24.87 56.47 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.494 ' CD1' ' HA ' ' A' ' 8' ' ' ILE . 16.3 mt -71.85 -22.44 61.53 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.779 0.799 . . . . 0.0 109.174 178.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -73.53 -35.73 65.59 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-O 121.709 0.766 . . . . 0.0 109.717 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -23.21 60.93 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.835 0.826 . . . . 0.0 109.193 179.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.98 -13.69 46.85 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.471 0.653 . . . . 0.0 109.915 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -49.42 159.04 0.36 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.493 -0.754 . . . . 0.0 110.518 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.469 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -67.49 148.41 51.54 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.334 -0.854 . . . . 0.0 110.135 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.58 -134.52 0.1 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.146 -0.971 . . . . 0.0 110.149 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.886 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.585 ' O ' HD12 ' A' ' 4' ' ' LEU . 1.2 pp . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.512 0.672 . . . . 0.0 109.781 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.84 -17.32 22.78 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.423 -0.798 . . . . 0.0 108.855 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.461 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -66.51 -32.75 74.3 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.649 0.737 . . . . 0.0 109.11 179.241 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.497 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -62.15 -30.68 71.21 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.171 179.207 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.422 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 80.3 mt -69.8 -18.36 21.98 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.787 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -70.94 -25.91 62.95 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.421 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.497 ' HB3' ' O ' ' A' ' 7' ' ' LYS . 4.8 t80 -63.27 -28.49 70.06 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 6.0 mt -69.02 -29.09 67.18 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.866 0.841 . . . . 0.0 109.158 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -76.99 -33.99 57.56 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-O 121.981 0.896 . . . . 0.0 108.617 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.28 -24.58 62.18 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.538 0 CA-C-O 121.606 0.717 . . . . 0.0 109.107 178.913 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.282 0.563 . . . . 0.0 110.507 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.35 -13.35 62.21 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.285 -0.884 . . . . 0.0 109.569 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -85.5 -16.86 38.16 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.803 -0.759 . . . . 0.0 109.03 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.39 -24.44 46.31 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.44 ' N ' HD13 ' A' ' 8' ' ' ILE . 8.3 mm -73.56 -19.65 18.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 119.483 -0.887 . . . . 0.0 108.828 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -77.45 -15.94 59.04 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.143 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -78.64 -35.87 44.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.479 -0.763 . . . . 0.0 109.546 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.4 mt -75.67 -17.02 60.1 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -74.6 -36.98 63.0 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.5 -21.93 11.44 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 11' ' ' LEU . . . . . . . . 0 N--CA 1.489 1.495 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.036 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.483 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 10.4 tp . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.378 0.609 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -68.47 -8.46 41.12 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.212 -0.93 . . . . 0.0 109.917 179.843 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.456 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.1 tttt -83.49 -26.65 30.04 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.356 -0.84 . . . . 0.0 108.967 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -21.45 60.99 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.0 mt -77.69 -15.98 14.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -82.72 -21.29 34.84 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.905 -0.718 . . . . 0.0 109.204 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 10' ' ' PHE . 15.2 t80 -79.93 -25.37 40.53 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.671 -0.812 . . . . 0.0 108.992 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.8 mt -79.88 -18.66 50.14 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.728 0.775 . . . . 0.0 109.317 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -84.12 -30.33 26.02 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 122.02 0.914 . . . . 0.0 108.761 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -22.16 61.23 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.398 0.618 . . . . 0.0 109.381 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.503 -0.748 . . . . 0.0 109.429 179.067 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.389 0.614 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.45 ' HA ' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -77.67 -5.87 51.92 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.293 -0.879 . . . . 0.0 109.062 178.696 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -86.06 -26.67 25.19 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.815 0.817 . . . . 0.0 109.014 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.64 -20.88 60.46 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 5' ' ' PHE . 85.1 mt -75.82 -19.5 15.59 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -74.68 -30.86 61.73 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.441 179.478 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -69.42 -28.13 65.87 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 121.824 0.821 . . . . 0.0 108.892 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 mp -71.72 -42.38 67.39 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.967 0.889 . . . . 0.0 109.064 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -69.4 -34.79 75.02 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-O 122.105 0.955 . . . . 0.0 108.427 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.6 t -69.44 -20.75 63.77 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.518 0 CA-C-O 121.624 0.726 . . . . 0.0 109.405 179.227 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 4' ' ' LEU . 7.6 tt . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.03 0.443 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.27 -10.25 40.42 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.148 -0.97 . . . . 0.0 109.74 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -83.13 -23.08 33.14 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.15 -21.6 62.16 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.193 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.487 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 70.5 mt -70.7 -16.36 19.64 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 CA-C-O 121.602 0.715 . . . . 0.0 109.085 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -78.27 -26.04 46.97 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.252 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -73.13 -20.64 60.89 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.487 ' HB3' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -68.37 -23.87 64.72 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.621 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -82.23 -30.94 30.5 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.821 0.819 . . . . 0.0 109.311 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.69 -20.66 46.03 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.482 0 CA-C-O 121.322 0.582 . . . . 0.0 110.209 179.483 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.7 tp . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.265 0.555 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -13.01 61.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.324 -0.86 . . . . 0.0 109.778 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.37 -22.32 38.44 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.436 -0.79 . . . . 0.0 108.985 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.417 ' HE2' ' HA ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -72.14 -30.45 65.04 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.718 -0.793 . . . . 0.0 109.035 178.907 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.7 mt -73.45 -11.95 15.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 C-N-CA 119.584 -0.846 . . . . 0.0 108.969 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -82.61 -24.91 33.64 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.669 0.747 . . . . 0.0 109.137 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -21.43 56.8 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.686 0.755 . . . . 0.0 109.007 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.29 -20.5 47.88 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.746 0.784 . . . . 0.0 109.197 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -77.92 -30.5 50.61 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-O 122.032 0.92 . . . . 0.0 108.755 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.2 t -63.94 -35.69 81.51 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.718 0.77 . . . . 0.0 109.424 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.645 0 CA-C-O 121.617 0.723 . . . . 0.0 109.463 179.161 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 120.894 0.378 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -10.62 20.87 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.895 -1.128 . . . . 0.0 109.928 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.03 -23.3 35.99 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.349 -0.844 . . . . 0.0 108.763 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -73.59 -18.46 61.06 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.2 mm -78.39 -19.06 13.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -73.64 -27.95 61.53 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -68.19 -17.59 64.37 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 11' ' ' LEU . 1.2 tp -74.33 -23.26 59.02 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 121.663 0.744 . . . . 0.0 109.68 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -78.37 -29.53 47.47 Favored 'General case' 0 C--N 1.294 -1.84 0 C-N-CA 119.759 -0.776 . . . . 0.0 109.452 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.55 -23.11 63.52 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.598 -0.688 . . . . 0.0 110.002 179.369 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.485 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 2.6 tt . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 121.103 0.478 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -66.6 -14.22 62.11 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.969 -1.082 . . . . 0.0 109.87 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -79.79 -24.07 41.69 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.418 ' HB2' ' HG ' ' A' ' 4' ' ' LEU . 18.5 mttt -76.11 -17.67 59.49 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 119.861 -0.735 . . . . 0.0 109.019 178.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 22.1 mt -77.48 -25.29 14.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.356 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -76.65 -22.93 53.38 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.494 -0.882 . . . . 0.0 108.723 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.12 -12.49 60.0 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.797 ' O ' HD23 ' A' ' 11' ' ' LEU . 7.6 tt -86.17 -13.63 46.46 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -84.08 -31.37 25.36 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 121.818 0.818 . . . . 0.0 109.058 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -71.67 -35.3 70.26 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.703 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.69 178.836 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.15 0.5 . . . . 0.0 110.364 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.578 ' HA ' ' HB ' ' A' ' 8' ' ' ILE . 0.6 OUTLIER -62.03 -13.02 21.95 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.276 -0.969 . . . . 0.0 109.572 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -54.53 10.05 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.477 -0.765 . . . . 0.0 109.209 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -69.43 -15.45 63.29 Favored 'General case' 0 C--N 1.294 -1.822 0 C-N-CA 119.566 -0.854 . . . . 0.0 108.79 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.578 ' HB ' ' HA ' ' A' ' 5' ' ' PHE . 4.5 mm -84.38 -26.03 7.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 9' ' ' LYS . 12.8 tptm -68.93 -24.46 64.29 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.24 -27.31 32.54 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.485 HD23 HD13 ' A' ' 8' ' ' ILE . 5.5 tp -85.06 -19.46 31.9 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -80.03 -36.12 36.25 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.9 m -71.57 -29.17 64.42 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.771 0.796 . . . . 0.0 108.874 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.6 0 CA-C-O 121.493 0.663 . . . . 0.0 109.956 179.289 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 tp . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.276 0.56 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -14.42 61.92 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.269 -0.895 . . . . 0.0 109.314 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -77.71 -21.03 52.55 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 121.7 0.762 . . . . 0.0 109.106 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -80.31 -18.74 48.36 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.693 0.758 . . . . 0.0 109.191 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.7 mt -85.39 -22.72 7.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-O 121.726 0.774 . . . . 0.0 109.17 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.93 -23.13 25.24 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.846 0.831 . . . . 0.0 108.83 179.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -89.53 -17.94 27.6 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -90.22 -17.24 27.88 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.413 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.45 -30.64 21.89 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.789 0.805 . . . . 0.0 108.86 178.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.6 m -78.67 -22.6 46.55 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.424 0.631 . . . . 0.0 109.959 179.328 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.646 ' O ' HD12 ' A' ' 4' ' ' LEU . 2.6 pp . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.236 0.541 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -56.15 -18.0 8.8 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.188 -0.945 . . . . 0.0 109.623 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -70.95 -39.58 72.52 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.545 0.688 . . . . 0.0 109.953 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -13.31 61.43 Favored 'General case' 0 C--N 1.293 -1.849 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.075 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.506 HD11 HD11 ' A' ' 4' ' ' LEU . 8.2 mt -84.18 -22.7 7.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 178.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.52 -19.68 55.41 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -83.24 -16.31 46.91 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.752 0.787 . . . . 0.0 108.877 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.487 ' HA ' HD13 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -81.8 -36.04 28.83 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.955 0.883 . . . . 0.0 109.086 178.766 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -67.9 -32.3 72.67 Favored 'General case' 0 C--N 1.29 -2.012 0 CA-C-O 121.829 0.823 . . . . 0.0 108.931 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 t -67.46 -17.55 64.74 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.602 0.715 . . . . 0.0 109.151 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.62 0.724 . . . . 0.0 109.896 179.477 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.425 ' HG ' ' HB2' ' A' ' 7' ' ' LYS . 1.2 tp . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.118 0.485 . . . . 0.0 110.412 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -16.04 26.68 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.182 -0.949 . . . . 0.0 109.256 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -73.65 -21.88 60.14 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.896 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.527 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -71.48 -30.21 65.72 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 121.5 0.667 . . . . 0.0 109.726 179.297 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.8 mt -73.14 -30.67 32.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 CA-C-O 121.912 0.863 . . . . 0.0 109.093 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -23.43 61.89 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-O 121.647 0.737 . . . . 0.0 109.328 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -30.97 59.6 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.315 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.527 HD12 ' O ' ' A' ' 7' ' ' LYS . 1.9 mt -83.29 -17.44 42.52 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 121.827 0.822 . . . . 0.0 109.026 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -89.16 -30.29 18.69 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.3 p -75.69 -19.35 59.18 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 121.483 0.659 . . . . 0.0 109.885 179.156 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.207 0.527 . . . . 0.0 110.003 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.33 -23.41 1.42 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.252 -0.905 . . . . 0.0 109.97 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -78.45 -18.11 55.37 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.472 -0.767 . . . . 0.0 109.388 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 4' ' ' LEU . 5.4 tttp -83.03 -25.44 32.15 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.033 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.4 mm -78.97 -16.96 13.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.429 ' CD ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -74.87 -29.97 61.18 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.783 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -72.3 -15.81 61.9 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.104 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.463 ' C ' HD23 ' A' ' 11' ' ' LEU . 6.2 tt -81.58 -19.9 40.99 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.524 0.678 . . . . 0.0 109.42 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.72 -32.93 25.24 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.838 0.828 . . . . 0.0 109.125 179.088 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -79.68 -17.94 52.5 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.458 0 CA-C-O 121.415 0.626 . . . . 0.0 109.883 179.573 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.46 ' HA ' HD12 ' A' ' 4' ' ' LEU . 12.2 tp . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.227 0.537 . . . . 0.0 110.202 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -17.96 10.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.186 -0.946 . . . . 0.0 109.586 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -19.79 57.85 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.684 0.755 . . . . 0.0 109.06 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -78.51 -21.28 49.13 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.688 0.756 . . . . 0.0 109.087 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.7 mm -80.01 -20.06 12.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -79.55 -20.23 47.56 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -77.82 -21.03 52.16 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tt -81.86 -15.33 54.41 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.934 -0.707 . . . . 0.0 109.135 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -84.5 -33.41 23.56 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 121.822 0.82 . . . . 0.0 109.016 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.12 -23.51 59.31 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.739 0.781 . . . . 0.0 108.893 178.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.559 0 CA-C-O 121.493 0.663 . . . . 0.0 109.923 179.416 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.453 ' HA ' HD12 ' A' ' 4' ' ' LEU . 26.0 tp . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.334 0.588 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -70.18 -11.48 60.92 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.38 -0.928 . . . . 0.0 109.233 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -73.18 -31.7 64.38 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.501 ' O ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -78.78 -21.75 47.38 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 178.794 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.1 mt -82.47 -18.93 10.67 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.64 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.66 -36.55 57.26 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -74.03 -15.05 61.1 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 7' ' ' LYS . 2.9 mp -83.93 -30.2 26.51 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -71.58 -33.54 69.14 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-O 122.033 0.921 . . . . 0.0 108.792 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.9 t -66.82 -29.36 69.27 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.714 0.769 . . . . 0.0 109.363 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.607 0 CA-C-O 121.466 0.65 . . . . 0.0 109.789 179.312 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.519 HD23 ' HE3' ' A' ' 7' ' ' LYS . 3.0 mp . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 121.077 0.465 . . . . 0.0 110.43 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.58 -24.89 0.38 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.023 -1.048 . . . . 0.0 110.411 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -73.72 -43.47 59.12 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.418 -0.801 . . . . 0.0 109.162 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.519 ' HE3' HD23 ' A' ' 4' ' ' LEU . 2.2 mttt -67.05 -20.42 65.84 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.8 mt -76.97 -20.87 14.51 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -66.9 -39.41 87.44 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 121.829 0.823 . . . . 0.0 108.843 178.843 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -62.83 -29.38 70.69 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.7 mt -81.19 -10.06 59.69 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 1.3 m170 -86.97 -29.59 21.92 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.848 0.832 . . . . 0.0 108.87 178.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.21 -26.28 58.84 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.973 0.892 . . . . 0.0 108.624 178.502 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.644 0.735 . . . . 0.0 109.835 179.267 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.401 ' O ' HG12 ' A' ' 8' ' ' ILE . 89.9 mt . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.14 0.495 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -75.29 -12.26 60.24 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.075 -1.015 . . . . 0.0 110.009 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -37.31 24.87 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.913 0.864 . . . . 0.0 109.183 179.103 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -75.41 -15.44 60.45 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.457 ' HA ' HD13 ' A' ' 8' ' ' ILE . 12.5 mm -83.92 -24.19 7.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -76.84 -33.94 57.88 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.555 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.2 m-30 -69.25 -24.9 64.05 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.62 -21.93 57.3 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.893 0.854 . . . . 0.0 108.852 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 2.3 m170 -78.06 -31.63 50.4 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 122.009 0.909 . . . . 0.0 108.795 178.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 t -70.75 -29.94 66.32 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-O 121.78 0.8 . . . . 0.0 109.15 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.638 0 O-C-N 121.647 -0.658 . . . . 0.0 109.643 179.207 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.384 0.612 . . . . 0.0 109.818 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -74.24 -8.42 56.14 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.39 -0.818 . . . . 0.0 108.794 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.24 -31.49 49.24 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -18.74 64.73 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 119.91 -0.716 . . . . 0.0 109.231 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 8' ' ' ILE . 28.2 mm -75.95 -28.19 18.82 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 C-N-CA 119.629 -0.828 . . . . 0.0 109.016 178.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -74.06 -18.46 60.83 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -76.67 -31.51 57.35 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.643 0.735 . . . . 0.0 109.156 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 2.6 mp -72.14 -19.4 61.78 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -75.6 -37.33 59.92 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.791 0.805 . . . . 0.0 108.833 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -17.73 64.56 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 11' ' ' LEU . . . . . . . . 0 C--N 1.304 -1.398 0 O-C-N 121.647 -0.658 . . . . 0.0 109.772 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.513 ' N ' HD12 ' A' ' 4' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 121.404 0.621 . . . . 0.0 110.118 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.468 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -46.02 -24.32 0.41 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.401 -0.812 . . . . 0.0 110.12 179.767 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -70.48 -44.47 67.62 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.51 -0.744 . . . . 0.0 109.386 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -22.5 65.23 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 178.701 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.468 ' HB ' ' O ' ' A' ' 5' ' ' PHE . 26.9 mm -71.22 -26.36 26.9 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.377 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -16.22 63.2 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -76.39 -27.23 56.26 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.764 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.022 ' O ' HD23 ' A' ' 11' ' ' LEU . 6.3 tt -77.63 -19.96 54.64 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.775 0.798 . . . . 0.0 108.923 179.213 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -80.86 -38.09 28.73 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.937 0.875 . . . . 0.0 108.688 178.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.1 m -69.68 -17.96 63.52 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 121.73 0.776 . . . . 0.0 109.339 179.08 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.407 ' C ' HD12 ' A' ' 4' ' ' LEU . 3.1 pp . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.257 0.551 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -53.14 -19.63 3.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.338 -0.851 . . . . 0.0 109.875 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -77.76 -22.87 49.58 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.362 -0.836 . . . . 0.0 109.336 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -78.58 -24.11 45.67 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.635 0.731 . . . . 0.0 109.423 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.743 ' HA ' HD12 ' A' ' 11' ' ' LEU . 27.6 mm -80.18 -23.89 11.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.73 -18.31 48.2 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.374 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -75.64 -24.87 56.47 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 8' ' ' ILE . 16.3 mt -71.85 -22.44 61.53 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.779 0.799 . . . . 0.0 109.174 178.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -73.53 -35.73 65.59 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-O 121.709 0.766 . . . . 0.0 109.717 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -23.21 60.93 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.835 0.826 . . . . 0.0 109.193 179.115 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.552 0 CA-C-O 121.471 0.653 . . . . 0.0 109.915 179.528 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.35 0.595 . . . . 0.0 110.199 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.565 ' CD1' ' HG2' ' A' ' 3' ' ' LYS . 28.0 t-105 -127.14 -57.8 1.3 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.29 -0.882 . . . . 0.0 110.129 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.565 ' HG2' ' CD1' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -165.29 87.92 0.43 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.262 -0.899 . . . . 0.0 110.489 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.585 ' O ' HD12 ' A' ' 4' ' ' LEU . 1.2 pp -81.44 -13.34 58.34 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.049 -1.032 . . . . 0.0 109.781 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.84 -17.32 22.78 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.423 -0.798 . . . . 0.0 108.855 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.461 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -66.51 -32.75 74.3 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.649 0.737 . . . . 0.0 109.11 179.241 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.497 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -62.15 -30.68 71.21 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.171 179.207 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.422 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 80.3 mt -69.8 -18.36 21.98 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.787 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -70.94 -25.91 62.95 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.421 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.497 ' HB3' ' O ' ' A' ' 7' ' ' LYS . 4.8 t80 -63.27 -28.49 70.06 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 6.0 mt -69.02 -29.09 67.18 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.866 0.841 . . . . 0.0 109.158 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -76.99 -33.99 57.56 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-O 121.981 0.896 . . . . 0.0 108.617 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.28 -24.58 62.18 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.71 -13.55 56.17 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.606 0.717 . . . . 0.0 109.107 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 16' ' ' LYS . 31.9 tttt -64.07 -102.47 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.73 -0.606 . . . . 0.0 109.714 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 2.0 mtpt -74.57 118.7 17.83 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.022 -1.049 . . . . 0.0 110.032 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -119.11 59.91 0.83 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.256 -0.903 . . . . 0.0 110.335 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.398 0 O-C-N 119.871 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.256 0.55 . . . . 0.0 110.209 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 3.5 p-90 -148.46 -32.06 0.25 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.345 -0.847 . . . . 0.0 110.653 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -130.12 74.57 1.6 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.002 -1.061 . . . . 0.0 109.949 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.43 -8.17 58.92 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.407 -0.808 . . . . 0.0 110.507 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.35 -13.35 62.21 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.285 -0.884 . . . . 0.0 109.569 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -85.5 -16.86 38.16 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.803 -0.759 . . . . 0.0 109.03 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.39 -24.44 46.31 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.44 ' N ' HD13 ' A' ' 8' ' ' ILE . 8.3 mm -73.56 -19.65 18.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 119.483 -0.887 . . . . 0.0 108.828 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -77.45 -15.94 59.04 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.143 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -78.64 -35.87 44.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.479 -0.763 . . . . 0.0 109.546 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.4 mt -75.67 -17.02 60.1 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.415 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 9.6 m170 -74.6 -36.98 63.0 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.5 -21.93 11.44 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 11' ' ' LEU . . . -69.71 -19.52 63.56 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.036 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 16' ' ' LYS . 10.7 pttp -56.01 -160.36 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.552 -0.718 . . . . 0.0 110.276 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -42.83 166.14 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.282 -0.886 . . . . 0.0 110.128 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.41 -67.99 0.9 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.204 -0.935 . . . . 0.0 110.304 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.846 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.269 0.557 . . . . 0.0 110.166 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 41.2 p90 -172.49 37.28 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.147 -0.971 . . . . 0.0 110.218 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.04 50.07 0.84 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.283 -0.886 . . . . 0.0 110.067 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.483 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 10.4 tp -86.1 -7.62 58.46 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.502 -0.749 . . . . 0.0 109.98 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -68.47 -8.46 41.12 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.212 -0.93 . . . . 0.0 109.917 179.843 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.456 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.1 tttt -83.49 -26.65 30.04 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.356 -0.84 . . . . 0.0 108.967 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -21.45 60.99 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.0 mt -77.69 -15.98 14.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -82.72 -21.29 34.84 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.905 -0.718 . . . . 0.0 109.204 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 10' ' ' PHE . 15.2 t80 -79.93 -25.37 40.53 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.671 -0.812 . . . . 0.0 108.992 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.8 mt -79.88 -18.66 50.14 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.728 0.775 . . . . 0.0 109.317 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -84.12 -30.33 26.02 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 122.02 0.914 . . . . 0.0 108.761 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -22.16 61.23 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.398 0.618 . . . . 0.0 109.381 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.1 -15.54 46.97 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.503 -0.748 . . . . 0.0 109.429 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.28 -88.01 0.06 Allowed 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.626 -0.671 . . . . 0.0 110.039 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -85.38 140.12 31.01 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.857 -1.152 . . . . 0.0 109.795 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -155.86 89.28 1.15 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.186 -0.946 . . . . 0.0 110.436 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.751 -1.843 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 121.13 0.49 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.78 111.69 20.1 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.006 -1.059 . . . . 0.0 109.997 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -125.98 141.71 51.85 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.345 -0.847 . . . . 0.0 110.107 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.05 -12.21 60.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.161 -0.962 . . . . 0.0 110.123 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.45 ' HA ' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -77.67 -5.87 51.92 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.293 -0.879 . . . . 0.0 109.062 178.696 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -86.06 -26.67 25.19 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.815 0.817 . . . . 0.0 109.014 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.64 -20.88 60.46 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 5' ' ' PHE . 85.1 mt -75.82 -19.5 15.59 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -74.68 -30.86 61.73 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.441 179.478 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -69.42 -28.13 65.87 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 121.824 0.821 . . . . 0.0 108.892 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 mp -71.72 -42.38 67.39 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.967 0.889 . . . . 0.0 109.064 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -69.4 -34.79 75.02 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-O 122.105 0.955 . . . . 0.0 108.427 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.6 t -69.44 -20.75 63.77 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.16 -16.4 53.04 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 121.624 0.726 . . . . 0.0 109.405 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -81.06 -24.11 38.06 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.635 0.731 . . . . 0.0 109.724 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -86.09 95.01 9.4 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.649 -0.657 . . . . 0.0 110.302 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -74.3 156.96 36.6 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 120.94 -1.1 . . . . 0.0 110.331 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 119.848 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 2' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 121.331 0.586 . . . . 0.0 110.327 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.471 ' CB ' ' O ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER 67.7 165.1 0.23 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.191 -0.943 . . . . 0.0 110.058 -179.695 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.01 -167.21 1.38 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.201 -0.937 . . . . 0.0 110.269 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 4' ' ' LEU . 7.6 tt -84.57 -11.82 55.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.276 -0.89 . . . . 0.0 111.105 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.27 -10.25 40.42 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.148 -0.97 . . . . 0.0 109.74 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -83.13 -23.08 33.14 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.15 -21.6 62.16 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.487 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 70.5 mt -70.7 -16.36 19.64 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 CA-C-O 121.602 0.715 . . . . 0.0 109.085 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -78.27 -26.04 46.97 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.252 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -73.13 -20.64 60.89 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.487 ' HB3' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -68.37 -23.87 64.72 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.621 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.49 ' HA ' ' HG3' ' A' ' 15' ' ' LYS . 1.8 m170 -82.23 -30.94 30.5 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.821 0.819 . . . . 0.0 109.311 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.69 -20.66 46.03 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . -86.21 -16.1 38.79 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 121.322 0.582 . . . . 0.0 110.209 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HG3' ' HA ' ' A' ' 12' ' ' HIS . 43.9 mttt -41.41 160.13 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.457 -0.777 . . . . 0.0 110.362 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.469 ' CA ' ' HE2' ' A' ' 16' ' ' LYS . 1.1 mmpt? -49.04 149.83 1.78 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.255 -0.903 . . . . 0.0 110.338 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.01 160.0 20.12 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.162 -0.961 . . . . 0.0 110.452 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.288 0 O-C-N 119.848 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.7 tptm . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.25 0.548 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -157.19 96.71 1.59 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.295 -0.878 . . . . 0.0 109.988 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -109.43 63.2 0.6 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.257 -0.902 . . . . 0.0 110.407 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.7 tp -83.84 8.25 15.44 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.294 -0.879 . . . . 0.0 109.976 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -13.01 61.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.324 -0.86 . . . . 0.0 109.778 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.37 -22.32 38.44 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.436 -0.79 . . . . 0.0 108.985 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.417 ' HE2' ' HA ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -72.14 -30.45 65.04 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.718 -0.793 . . . . 0.0 109.035 178.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.7 mt -73.45 -11.95 15.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 C-N-CA 119.584 -0.846 . . . . 0.0 108.969 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -82.61 -24.91 33.64 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.669 0.747 . . . . 0.0 109.137 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -21.43 56.8 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.686 0.755 . . . . 0.0 109.007 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.29 -20.5 47.88 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.746 0.784 . . . . 0.0 109.197 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.467 ' HA ' ' HB2' ' A' ' 15' ' ' LYS . 2.0 m-70 -77.92 -30.5 50.61 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-O 122.032 0.92 . . . . 0.0 108.755 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.2 t -63.94 -35.69 81.51 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.718 0.77 . . . . 0.0 109.424 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.06 -10.86 56.44 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.617 0.723 . . . . 0.0 109.463 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.467 ' HB2' ' HA ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -85.73 -83.85 0.17 Allowed 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 121.659 0.742 . . . . 0.0 110.465 179.8 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.484 ' HD2' ' O ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -45.51 171.8 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.688 -0.632 . . . . 0.0 110.813 -179.639 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.484 ' O ' ' HD2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -112.85 -136.97 0.37 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.44 -0.787 . . . . 0.0 110.192 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.846 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.139 0.495 . . . . 0.0 110.234 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 36.3 p90 -66.79 154.83 39.83 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.253 -0.904 . . . . 0.0 110.182 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.49 ' HG3' ' HB2' ' A' ' 5' ' ' PHE . 2.1 pttp -157.08 173.07 17.56 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.166 -0.959 . . . . 0.0 110.607 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mp -85.38 6.03 28.29 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.298 -0.876 . . . . 0.0 111.16 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.49 ' HB2' ' HG3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -63.78 -10.62 20.87 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.895 -1.128 . . . . 0.0 109.928 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.03 -23.3 35.99 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.349 -0.844 . . . . 0.0 108.763 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -73.59 -18.46 61.06 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.2 mm -78.39 -19.06 13.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -73.64 -27.95 61.53 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -68.19 -17.59 64.37 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 11' ' ' LEU . 1.2 tp -74.33 -23.26 59.02 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 121.663 0.744 . . . . 0.0 109.68 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.516 ' HA ' ' HG2' ' A' ' 15' ' ' LYS . 1.6 m170 -78.37 -29.53 47.47 Favored 'General case' 0 C--N 1.294 -1.84 0 C-N-CA 119.759 -0.776 . . . . 0.0 109.452 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.55 -23.11 63.52 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.27 -7.54 58.96 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.598 -0.688 . . . . 0.0 110.002 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.516 ' HG2' ' HA ' ' A' ' 12' ' ' HIS . 35.5 mmtm -44.95 157.14 0.08 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.407 -0.808 . . . . 0.0 110.588 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -74.67 154.87 38.28 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.23 -0.919 . . . . 0.0 110.653 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.415 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 2.6 p90 -84.21 -160.82 0.49 Allowed 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.261 -0.899 . . . . 0.0 110.117 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.856 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.241 0.543 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -118.43 -144.43 0.37 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.178 -0.951 . . . . 0.0 109.922 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.5 ' HE3' ' CB ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -136.9 -168.99 2.38 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.103 -0.998 . . . . 0.0 110.627 179.767 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.485 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 2.6 tt -79.06 2.34 20.96 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.319 -0.863 . . . . 0.0 111.18 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.5 ' CB ' ' HE3' ' A' ' 3' ' ' LYS . 31.0 t80 -66.6 -14.22 62.11 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.969 -1.082 . . . . 0.0 109.87 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -79.79 -24.07 41.69 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' HB2' ' HG ' ' A' ' 4' ' ' LEU . 18.5 mttt -76.11 -17.67 59.49 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 119.861 -0.735 . . . . 0.0 109.019 178.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 22.1 mt -77.48 -25.29 14.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.356 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -76.65 -22.93 53.38 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.494 -0.882 . . . . 0.0 108.723 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.12 -12.49 60.0 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.797 ' O ' HD23 ' A' ' 11' ' ' LEU . 7.6 tt -86.17 -13.63 46.46 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.5 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 1.8 m170 -84.08 -31.37 25.36 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 121.818 0.818 . . . . 0.0 109.058 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -71.67 -35.3 70.26 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 15' ' ' LYS . . . -87.05 4.67 41.08 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.69 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 4.2 tttt -40.67 161.5 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.232 -0.917 . . . . 0.0 110.597 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' NH2 . 30.0 mttp -80.99 -167.73 1.53 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.444 -0.785 . . . . 0.0 110.485 -179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.05 62.15 0.08 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.399 -0.813 . . . . 0.0 110.328 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 119.813 -1.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.125 0.488 . . . . 0.0 110.067 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -43.67 -27.46 0.31 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.282 -0.886 . . . . 0.0 110.473 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.65 69.11 1.34 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.237 -0.914 . . . . 0.0 110.298 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.689 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -75.74 -0.71 21.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.186 -0.946 . . . . 0.0 110.364 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.578 ' HA ' ' HB ' ' A' ' 8' ' ' ILE . 0.6 OUTLIER -62.03 -13.02 21.95 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.276 -0.969 . . . . 0.0 109.572 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -54.53 10.05 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.477 -0.765 . . . . 0.0 109.209 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -69.43 -15.45 63.29 Favored 'General case' 0 C--N 1.294 -1.822 0 C-N-CA 119.566 -0.854 . . . . 0.0 108.79 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.578 ' HB ' ' HA ' ' A' ' 5' ' ' PHE . 4.5 mm -84.38 -26.03 7.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 9' ' ' LYS . 12.8 tptm -68.93 -24.46 64.29 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.24 -27.31 32.54 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.485 HD23 HD13 ' A' ' 8' ' ' ILE . 5.5 tp -85.06 -19.46 31.9 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.511 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 10.7 m170 -80.03 -36.12 36.25 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.9 m -71.57 -29.17 64.42 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.771 0.796 . . . . 0.0 108.874 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.3 -8.91 57.36 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.493 0.663 . . . . 0.0 109.956 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -60.92 172.45 0.97 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.357 -0.84 . . . . 0.0 110.344 -179.623 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.457 ' N ' ' HD2' ' A' ' 15' ' ' LYS . 4.6 mtmm -64.35 100.05 0.33 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.354 -0.841 . . . . 0.0 110.407 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.51 ' HB2' ' CE ' ' A' ' 15' ' ' LYS . 9.5 t80 -163.17 -68.31 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.293 -0.879 . . . . 0.0 110.175 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 66.9 mttt . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.278 0.561 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 34.4 t-105 -108.71 -30.21 8.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.261 -0.899 . . . . 0.0 110.053 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.52 100.8 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.206 -0.934 . . . . 0.0 110.043 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 tp -72.44 -5.52 37.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.175 -0.953 . . . . 0.0 110.165 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -14.42 61.92 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.269 -0.895 . . . . 0.0 109.314 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -77.71 -21.03 52.55 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 121.7 0.762 . . . . 0.0 109.106 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -80.31 -18.74 48.36 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.693 0.758 . . . . 0.0 109.191 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.7 mt -85.39 -22.72 7.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-O 121.726 0.774 . . . . 0.0 109.17 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.93 -23.13 25.24 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.846 0.831 . . . . 0.0 108.83 179.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -89.53 -17.94 27.6 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -90.22 -17.24 27.88 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.413 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.45 -30.64 21.89 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.789 0.805 . . . . 0.0 108.86 178.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.6 m -78.67 -22.6 46.55 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.97 -15.72 40.65 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.424 0.631 . . . . 0.0 109.959 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.37 161.06 31.68 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.455 -0.778 . . . . 0.0 110.161 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -72.22 58.95 0.39 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.216 -0.927 . . . . 0.0 110.339 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -127.48 129.11 46.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.206 -0.934 . . . . 0.0 110.168 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.806 -1.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.471 ' O ' ' HG2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.213 0.53 . . . . 0.0 110.355 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.413 ' CD1' ' C ' ' A' ' 2' ' ' TRP . 4.6 t90 -57.51 104.15 0.16 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.314 -0.867 . . . . 0.0 110.055 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 1' ' ' LYS . 0.2 OUTLIER -154.56 53.0 0.66 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.233 -0.917 . . . . 0.0 110.499 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.646 ' O ' HD12 ' A' ' 4' ' ' LEU . 2.6 pp -85.01 5.63 28.56 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.582 -0.699 . . . . 0.0 110.273 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -56.15 -18.0 8.8 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.188 -0.945 . . . . 0.0 109.623 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -70.95 -39.58 72.52 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.545 0.688 . . . . 0.0 109.953 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -13.31 61.43 Favored 'General case' 0 C--N 1.293 -1.849 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.075 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.506 HD11 HD11 ' A' ' 4' ' ' LEU . 8.2 mt -84.18 -22.7 7.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 178.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.52 -19.68 55.41 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -83.24 -16.31 46.91 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.752 0.787 . . . . 0.0 108.877 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.487 ' HA ' HD13 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -81.8 -36.04 28.83 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.955 0.883 . . . . 0.0 109.086 178.766 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.503 ' HA ' ' CD ' ' A' ' 15' ' ' LYS . 2.4 m-70 -67.9 -32.3 72.67 Favored 'General case' 0 C--N 1.29 -2.012 0 CA-C-O 121.829 0.823 . . . . 0.0 108.931 178.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 t -67.46 -17.55 64.74 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.602 0.715 . . . . 0.0 109.151 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.6 -22.34 32.29 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.62 0.724 . . . . 0.0 109.896 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.503 ' CD ' ' HA ' ' A' ' 12' ' ' HIS . 1.8 mttp -85.66 164.93 17.39 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.64 -0.663 . . . . 0.0 110.175 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -66.01 78.8 0.09 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.263 -0.898 . . . . 0.0 110.104 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -46.54 109.44 0.19 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.236 -0.915 . . . . 0.0 110.24 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.872 -1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.22 0.533 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -109.14 -19.6 13.29 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.122 -0.986 . . . . 0.0 110.16 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -50.38 174.55 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.921 . . . . 0.0 110.359 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.425 ' HG ' ' HB2' ' A' ' 7' ' ' LYS . 1.2 tp -82.54 1.72 36.52 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.247 -0.908 . . . . 0.0 110.412 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -16.04 26.68 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.182 -0.949 . . . . 0.0 109.256 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -73.65 -21.88 60.14 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.896 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.527 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -71.48 -30.21 65.72 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 121.5 0.667 . . . . 0.0 109.726 179.297 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.8 mt -73.14 -30.67 32.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 CA-C-O 121.912 0.863 . . . . 0.0 109.093 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -23.43 61.89 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-O 121.647 0.737 . . . . 0.0 109.328 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -30.97 59.6 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.315 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.527 HD12 ' O ' ' A' ' 7' ' ' LYS . 1.9 mt -83.29 -17.44 42.52 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 121.827 0.822 . . . . 0.0 109.026 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -89.16 -30.29 18.69 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.3 p -75.69 -19.35 59.18 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.38 -16.89 38.35 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.483 0.659 . . . . 0.0 109.885 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -72.91 -70.23 0.37 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.416 -0.803 . . . . 0.0 110.117 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -85.17 106.92 16.97 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-O 121.419 0.628 . . . . 0.0 110.264 179.901 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.76 2.41 34.05 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.111 -0.993 . . . . 0.0 110.37 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 119.917 -1.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.23 0.538 . . . . 0.0 110.128 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.57 ' CD1' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -110.41 -158.75 0.66 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.189 -0.944 . . . . 0.0 110.071 179.774 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.57 ' HD3' ' CD1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -81.63 51.87 1.78 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.204 -0.935 . . . . 0.0 110.379 -179.823 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 2' ' ' TRP . 0.6 OUTLIER -85.64 15.41 4.69 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.561 -0.712 . . . . 0.0 110.003 179.607 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.33 -23.41 1.42 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.252 -0.905 . . . . 0.0 109.97 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -78.45 -18.11 55.37 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.472 -0.767 . . . . 0.0 109.388 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 4' ' ' LEU . 5.4 tttp -83.03 -25.44 32.15 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.033 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.4 mm -78.97 -16.96 13.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' CD ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -74.87 -29.97 61.18 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.783 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -72.3 -15.81 61.9 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.104 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.463 ' C ' HD23 ' A' ' 11' ' ' LEU . 6.2 tt -81.58 -19.9 40.99 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.524 0.678 . . . . 0.0 109.42 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.72 -32.93 25.24 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.838 0.828 . . . . 0.0 109.125 179.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -79.68 -17.94 52.5 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.64 -19.01 31.62 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.415 0.626 . . . . 0.0 109.883 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.43 157.11 0.37 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.366 -0.834 . . . . 0.0 109.75 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.84 136.57 55.62 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.226 -0.921 . . . . 0.0 110.124 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.39 83.19 1.99 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.261 -0.899 . . . . 0.0 110.162 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 119.874 -1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.235 0.541 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -125.7 -65.91 0.97 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.238 -0.914 . . . . 0.0 110.068 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -71.84 115.78 11.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.287 -0.883 . . . . 0.0 110.155 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.46 ' HA ' HD12 ' A' ' 4' ' ' LEU . 12.2 tp -77.31 3.3 13.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.266 -0.896 . . . . 0.0 110.202 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -17.96 10.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.186 -0.946 . . . . 0.0 109.586 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -19.79 57.85 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.684 0.755 . . . . 0.0 109.06 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -78.51 -21.28 49.13 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.688 0.756 . . . . 0.0 109.087 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.7 mm -80.01 -20.06 12.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -79.55 -20.23 47.56 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -77.82 -21.03 52.16 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tt -81.86 -15.33 54.41 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.934 -0.707 . . . . 0.0 109.135 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -84.5 -33.41 23.56 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 121.822 0.82 . . . . 0.0 109.016 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.455 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -74.12 -23.51 59.31 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.739 0.781 . . . . 0.0 108.893 178.838 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.88 -11.56 52.95 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.493 0.663 . . . . 0.0 109.923 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.438 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -63.53 -12.57 33.35 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.362 -0.836 . . . . 0.0 110.12 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -85.62 95.57 9.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.509 -0.744 . . . . 0.0 110.232 179.799 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.99 -77.08 0.5 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.149 -0.97 . . . . 0.0 110.221 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 119.84 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.25 0.548 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -74.91 -48.92 22.2 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.263 -0.898 . . . . 0.0 109.95 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.476 ' N ' ' HD2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -104.85 142.35 34.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.497 -0.752 . . . . 0.0 110.267 -179.676 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.453 ' HA ' HD12 ' A' ' 4' ' ' LEU . 26.0 tp -82.94 -8.46 59.57 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.245 -0.91 . . . . 0.0 110.009 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -70.18 -11.48 60.92 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.38 -0.928 . . . . 0.0 109.233 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -73.18 -31.7 64.38 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.501 ' O ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -78.78 -21.75 47.38 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 178.794 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.1 mt -82.47 -18.93 10.67 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.64 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.66 -36.55 57.26 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -74.03 -15.05 61.1 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 7' ' ' LYS . 2.9 mp -83.93 -30.2 26.51 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -71.58 -33.54 69.14 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-O 122.033 0.921 . . . . 0.0 108.792 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.9 t -66.82 -29.36 69.27 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.714 0.769 . . . . 0.0 109.363 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.35 -7.73 58.82 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.466 0.65 . . . . 0.0 109.789 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 16' ' ' LYS . 4.0 tttt -48.43 -63.16 1.16 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.409 -0.807 . . . . 0.0 110.333 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 15' ' ' LYS . 3.1 pttp -46.82 175.04 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.604 -0.685 . . . . 0.0 110.124 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -122.04 -93.67 0.51 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.142 -0.974 . . . . 0.0 110.52 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.752 -1.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.431 ' O ' ' HB3' ' A' ' 2' ' ' TRP . 5.2 tttm . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.176 0.512 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.613 ' O ' ' CG ' ' A' ' 2' ' ' TRP . 37.0 t-105 54.52 21.45 3.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.141 -0.974 . . . . 0.0 110.189 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -97.68 41.03 1.14 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.782 -1.199 . . . . 0.0 110.683 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.519 HD23 ' HE3' ' A' ' 7' ' ' LYS . 3.0 mp -87.28 12.95 10.64 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.543 -0.723 . . . . 0.0 110.43 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.58 -24.89 0.38 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.023 -1.048 . . . . 0.0 110.411 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -73.72 -43.47 59.12 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.418 -0.801 . . . . 0.0 109.162 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.519 ' HE3' HD23 ' A' ' 4' ' ' LEU . 2.2 mttt -67.05 -20.42 65.84 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.8 mt -76.97 -20.87 14.51 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -66.9 -39.41 87.44 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 121.829 0.823 . . . . 0.0 108.843 178.843 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -62.83 -29.38 70.69 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.7 mt -81.19 -10.06 59.69 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 1.3 m170 -86.97 -29.59 21.92 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.848 0.832 . . . . 0.0 108.87 178.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.21 -26.28 58.84 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.973 0.892 . . . . 0.0 108.624 178.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.51 -20.66 27.72 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.644 0.735 . . . . 0.0 109.835 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.454 ' HG3' ' HA ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -53.42 169.34 0.13 Allowed 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 121.419 0.628 . . . . 0.0 110.592 -179.649 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -174.76 2.3 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.46 -0.775 . . . . 0.0 110.17 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -75.26 176.37 7.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.097 -1.002 . . . . 0.0 110.158 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.326 0 O-C-N 119.857 -1.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.2 tttt . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.354 0.597 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -174.8 0.73 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.431 -0.793 . . . . 0.0 110.174 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -134.23 68.67 1.48 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.244 -0.91 . . . . 0.0 109.717 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.401 ' O ' HG12 ' A' ' 8' ' ' ILE . 89.9 mt -82.66 11.12 6.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.451 -0.781 . . . . 0.0 110.601 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -75.29 -12.26 60.24 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.075 -1.015 . . . . 0.0 110.009 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -37.31 24.87 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.913 0.864 . . . . 0.0 109.183 179.103 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -75.41 -15.44 60.45 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.457 ' HA ' HD13 ' A' ' 8' ' ' ILE . 12.5 mm -83.92 -24.19 7.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -76.84 -33.94 57.88 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.555 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.2 m-30 -69.25 -24.9 64.05 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.62 -21.93 57.3 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.893 0.854 . . . . 0.0 108.852 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 2.3 m170 -78.06 -31.63 50.4 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 122.009 0.909 . . . . 0.0 108.795 178.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 t -70.75 -29.94 66.32 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-O 121.78 0.8 . . . . 0.0 109.15 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.47 -8.43 58.37 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.647 -0.658 . . . . 0.0 109.643 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -76.96 -127.21 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.538 -0.726 . . . . 0.0 110.046 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -58.24 170.62 0.67 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.004 -1.06 . . . . 0.0 110.313 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -54.38 174.85 0.06 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.328 -0.857 . . . . 0.0 110.247 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 121.226 0.536 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 3.9 m0 47.93 -171.74 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.247 -0.908 . . . . 0.0 110.231 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.469 ' HB3' ' HD3' ' A' ' 6' ' ' LYS . 24.5 mttp -121.33 53.97 1.14 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.289 -0.882 . . . . 0.0 110.688 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.23 -11.98 57.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.118 -0.989 . . . . 0.0 109.818 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -74.24 -8.42 56.14 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.39 -0.818 . . . . 0.0 108.794 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.469 ' HD3' ' HB3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -78.24 -31.49 49.24 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.909 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -18.74 64.73 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 119.91 -0.716 . . . . 0.0 109.231 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 8' ' ' ILE . 28.2 mm -75.95 -28.19 18.82 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 C-N-CA 119.629 -0.828 . . . . 0.0 109.016 178.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -74.06 -18.46 60.83 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -76.67 -31.51 57.35 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.643 0.735 . . . . 0.0 109.156 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 2.6 mp -72.14 -19.4 61.78 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 4.4 m170 -75.6 -37.33 59.92 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.791 0.805 . . . . 0.0 108.833 178.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -17.73 64.56 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 11' ' ' LEU . . . -74.91 -23.76 58.4 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.647 -0.658 . . . . 0.0 109.772 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -60.93 151.64 29.75 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.578 -0.849 . . . . 0.0 109.438 179.442 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.18 148.59 1.76 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.111 -0.993 . . . . 0.0 110.169 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -87.81 101.27 13.54 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.224 -0.922 . . . . 0.0 110.304 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 119.839 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.8 tptm . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.147 0.499 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.577 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 11.9 t90 -61.94 -21.14 64.54 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.244 -0.91 . . . . 0.0 110.316 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.46 -162.3 0.65 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.112 -0.993 . . . . 0.0 110.248 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.513 ' N ' HD12 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -86.18 20.66 2.26 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.53 -0.731 . . . . 0.0 110.118 179.444 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.468 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -46.02 -24.32 0.41 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.401 -0.812 . . . . 0.0 110.12 179.767 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -70.48 -44.47 67.62 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.51 -0.744 . . . . 0.0 109.386 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -22.5 65.23 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 178.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.468 ' HB ' ' O ' ' A' ' 5' ' ' PHE . 26.9 mm -71.22 -26.36 26.9 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.377 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -16.22 63.2 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -76.39 -27.23 56.26 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.764 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.022 ' O ' HD23 ' A' ' 11' ' ' LEU . 6.3 tt -77.63 -19.96 54.64 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.775 0.798 . . . . 0.0 108.923 179.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.454 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 6.8 m-70 -80.86 -38.09 28.73 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.937 0.875 . . . . 0.0 108.688 178.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.1 m -69.68 -17.96 63.52 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.55 -18.94 31.95 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.73 0.776 . . . . 0.0 109.339 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 0.4 OUTLIER -47.07 158.91 0.12 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.671 -0.643 . . . . 0.0 109.992 179.727 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -82.19 -170.12 2.74 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.196 -0.94 . . . . 0.0 110.243 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -71.05 106.61 3.76 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.231 -0.918 . . . . 0.0 110.186 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 119.909 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.305 0.574 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.531 ' N ' ' CD1' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -74.51 -158.86 0.08 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.242 -0.911 . . . . 0.0 110.399 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.414 ' CG ' ' HB3' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -162.51 -168.78 1.92 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.273 -0.892 . . . . 0.0 110.366 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.407 ' C ' HD12 ' A' ' 4' ' ' LEU . 3.1 pp -70.27 -3.05 15.28 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.368 -0.832 . . . . 0.0 110.342 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -53.14 -19.63 3.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.338 -0.851 . . . . 0.0 109.875 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -77.76 -22.87 49.58 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.362 -0.836 . . . . 0.0 109.336 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -78.58 -24.11 45.67 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.635 0.731 . . . . 0.0 109.423 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.743 ' HA ' HD12 ' A' ' 11' ' ' LEU . 27.6 mm -80.18 -23.89 11.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.73 -18.31 48.2 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -75.64 -24.87 56.47 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 8' ' ' ILE . 16.3 mt -71.85 -22.44 61.53 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.779 0.799 . . . . 0.0 109.174 178.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -73.53 -35.73 65.59 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-O 121.709 0.766 . . . . 0.0 109.717 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -23.21 60.93 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.835 0.826 . . . . 0.0 109.193 179.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.98 -13.69 46.85 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.471 0.653 . . . . 0.0 109.915 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -49.42 159.04 0.36 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.493 -0.754 . . . . 0.0 110.518 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -67.49 148.41 51.54 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.334 -0.854 . . . . 0.0 110.135 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.58 -134.52 0.1 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.146 -0.971 . . . . 0.0 110.149 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.886 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.585 ' O ' HD12 ' A' ' 4' ' ' LEU . 1.2 pp . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.512 0.672 . . . . 0.0 109.781 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.84 -17.32 22.78 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.423 -0.798 . . . . 0.0 108.855 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.461 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -66.51 -32.75 74.3 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.649 0.737 . . . . 0.0 109.11 179.241 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.497 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -62.15 -30.68 71.21 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.171 179.207 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.422 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 80.3 mt -69.8 -18.36 21.98 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.787 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -70.94 -25.91 62.95 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.421 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.497 ' HB3' ' O ' ' A' ' 7' ' ' LYS . 4.8 t80 -63.27 -28.49 70.06 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 6.0 mt -69.02 -29.09 67.18 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.866 0.841 . . . . 0.0 109.158 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -76.99 -33.99 57.56 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-O 121.981 0.896 . . . . 0.0 108.617 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.28 -24.58 62.18 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.538 0 CA-C-O 121.606 0.717 . . . . 0.0 109.107 178.913 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.282 0.563 . . . . 0.0 110.507 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.35 -13.35 62.21 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.285 -0.884 . . . . 0.0 109.569 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -85.5 -16.86 38.16 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.803 -0.759 . . . . 0.0 109.03 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.39 -24.44 46.31 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.44 ' N ' HD13 ' A' ' 8' ' ' ILE . 8.3 mm -73.56 -19.65 18.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 119.483 -0.887 . . . . 0.0 108.828 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -77.45 -15.94 59.04 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.143 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -78.64 -35.87 44.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.479 -0.763 . . . . 0.0 109.546 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.4 mt -75.67 -17.02 60.1 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -74.6 -36.98 63.0 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.5 -21.93 11.44 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 11' ' ' LEU . . . . . . . . 0 N--CA 1.489 1.495 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.036 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.483 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 10.4 tp . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.378 0.609 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -68.47 -8.46 41.12 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.212 -0.93 . . . . 0.0 109.917 179.843 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.456 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.1 tttt -83.49 -26.65 30.04 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.356 -0.84 . . . . 0.0 108.967 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -21.45 60.99 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.0 mt -77.69 -15.98 14.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -82.72 -21.29 34.84 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.905 -0.718 . . . . 0.0 109.204 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 10' ' ' PHE . 15.2 t80 -79.93 -25.37 40.53 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.671 -0.812 . . . . 0.0 108.992 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.8 mt -79.88 -18.66 50.14 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.728 0.775 . . . . 0.0 109.317 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -84.12 -30.33 26.02 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 122.02 0.914 . . . . 0.0 108.761 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -22.16 61.23 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.398 0.618 . . . . 0.0 109.381 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.503 -0.748 . . . . 0.0 109.429 179.067 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.389 0.614 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.45 ' HA ' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -77.67 -5.87 51.92 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.293 -0.879 . . . . 0.0 109.062 178.696 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -86.06 -26.67 25.19 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.815 0.817 . . . . 0.0 109.014 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.64 -20.88 60.46 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 5' ' ' PHE . 85.1 mt -75.82 -19.5 15.59 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -74.68 -30.86 61.73 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.441 179.478 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -69.42 -28.13 65.87 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 121.824 0.821 . . . . 0.0 108.892 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 mp -71.72 -42.38 67.39 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.967 0.889 . . . . 0.0 109.064 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -69.4 -34.79 75.02 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-O 122.105 0.955 . . . . 0.0 108.427 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.6 t -69.44 -20.75 63.77 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.518 0 CA-C-O 121.624 0.726 . . . . 0.0 109.405 179.227 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.414 ' O ' HD23 ' A' ' 4' ' ' LEU . 7.6 tt . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.03 0.443 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.27 -10.25 40.42 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.148 -0.97 . . . . 0.0 109.74 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -83.13 -23.08 33.14 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.15 -21.6 62.16 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.487 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 70.5 mt -70.7 -16.36 19.64 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 CA-C-O 121.602 0.715 . . . . 0.0 109.085 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -78.27 -26.04 46.97 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.252 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -73.13 -20.64 60.89 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.487 ' HB3' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -68.37 -23.87 64.72 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.621 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -82.23 -30.94 30.5 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.821 0.819 . . . . 0.0 109.311 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.69 -20.66 46.03 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.482 0 CA-C-O 121.322 0.582 . . . . 0.0 110.209 179.483 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.7 tp . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.265 0.555 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -13.01 61.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.324 -0.86 . . . . 0.0 109.778 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.37 -22.32 38.44 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.436 -0.79 . . . . 0.0 108.985 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.417 ' HA ' ' HE2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -72.14 -30.45 65.04 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.718 -0.793 . . . . 0.0 109.035 178.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.7 mt -73.45 -11.95 15.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 C-N-CA 119.584 -0.846 . . . . 0.0 108.969 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -82.61 -24.91 33.64 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.669 0.747 . . . . 0.0 109.137 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -21.43 56.8 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.686 0.755 . . . . 0.0 109.007 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.29 -20.5 47.88 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.746 0.784 . . . . 0.0 109.197 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -77.92 -30.5 50.61 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-O 122.032 0.92 . . . . 0.0 108.755 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.2 t -63.94 -35.69 81.51 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.718 0.77 . . . . 0.0 109.424 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.645 0 CA-C-O 121.617 0.723 . . . . 0.0 109.463 179.161 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 120.894 0.378 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -10.62 20.87 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.895 -1.128 . . . . 0.0 109.928 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.03 -23.3 35.99 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.349 -0.844 . . . . 0.0 108.763 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -73.59 -18.46 61.06 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.2 mm -78.39 -19.06 13.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -73.64 -27.95 61.53 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -68.19 -17.59 64.37 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 11' ' ' LEU . 1.2 tp -74.33 -23.26 59.02 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 121.663 0.744 . . . . 0.0 109.68 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -78.37 -29.53 47.47 Favored 'General case' 0 C--N 1.294 -1.84 0 C-N-CA 119.759 -0.776 . . . . 0.0 109.452 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.55 -23.11 63.52 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.598 -0.688 . . . . 0.0 110.002 179.369 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.485 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 2.6 tt . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 121.103 0.478 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -66.6 -14.22 62.11 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.969 -1.082 . . . . 0.0 109.87 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -79.79 -24.07 41.69 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.418 ' HB2' ' HG ' ' A' ' 4' ' ' LEU . 18.5 mttt -76.11 -17.67 59.49 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 119.861 -0.735 . . . . 0.0 109.019 178.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 22.1 mt -77.48 -25.29 14.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.356 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -76.65 -22.93 53.38 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.494 -0.882 . . . . 0.0 108.723 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.12 -12.49 60.0 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.797 ' O ' HD23 ' A' ' 11' ' ' LEU . 7.6 tt -86.17 -13.63 46.46 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -84.08 -31.37 25.36 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 121.818 0.818 . . . . 0.0 109.058 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -71.67 -35.3 70.26 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.703 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.69 178.836 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.15 0.5 . . . . 0.0 110.364 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.578 ' HA ' ' HB ' ' A' ' 8' ' ' ILE . 0.6 OUTLIER -62.03 -13.02 21.95 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.276 -0.969 . . . . 0.0 109.572 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -54.53 10.05 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.477 -0.765 . . . . 0.0 109.209 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -69.43 -15.45 63.29 Favored 'General case' 0 C--N 1.294 -1.822 0 C-N-CA 119.566 -0.854 . . . . 0.0 108.79 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.578 ' HB ' ' HA ' ' A' ' 5' ' ' PHE . 4.5 mm -84.38 -26.03 7.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 9' ' ' LYS . 12.8 tptm -68.93 -24.46 64.29 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.24 -27.31 32.54 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.485 HD23 HD13 ' A' ' 8' ' ' ILE . 5.5 tp -85.06 -19.46 31.9 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -80.03 -36.12 36.25 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.9 m -71.57 -29.17 64.42 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.771 0.796 . . . . 0.0 108.874 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.6 0 CA-C-O 121.493 0.663 . . . . 0.0 109.956 179.289 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 tp . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.276 0.56 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -14.42 61.92 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.269 -0.895 . . . . 0.0 109.314 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -77.71 -21.03 52.55 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 121.7 0.762 . . . . 0.0 109.106 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -80.31 -18.74 48.36 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.693 0.758 . . . . 0.0 109.191 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.7 mt -85.39 -22.72 7.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-O 121.726 0.774 . . . . 0.0 109.17 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.93 -23.13 25.24 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.846 0.831 . . . . 0.0 108.83 179.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -89.53 -17.94 27.6 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -90.22 -17.24 27.88 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.413 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -86.45 -30.64 21.89 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.789 0.805 . . . . 0.0 108.86 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.6 m -78.67 -22.6 46.55 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.424 0.631 . . . . 0.0 109.959 179.328 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.646 ' O ' HD12 ' A' ' 4' ' ' LEU . 2.6 pp . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.236 0.541 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -56.15 -18.0 8.8 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.188 -0.945 . . . . 0.0 109.623 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -70.95 -39.58 72.52 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.545 0.688 . . . . 0.0 109.953 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -13.31 61.43 Favored 'General case' 0 C--N 1.293 -1.849 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.075 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.506 HD11 HD11 ' A' ' 4' ' ' LEU . 8.2 mt -84.18 -22.7 7.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 178.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.52 -19.68 55.41 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -83.24 -16.31 46.91 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.752 0.787 . . . . 0.0 108.877 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.487 ' HA ' HD13 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -81.8 -36.04 28.83 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.955 0.883 . . . . 0.0 109.086 178.766 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -67.9 -32.3 72.67 Favored 'General case' 0 C--N 1.29 -2.012 0 CA-C-O 121.829 0.823 . . . . 0.0 108.931 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 t -67.46 -17.55 64.74 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.602 0.715 . . . . 0.0 109.151 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.62 0.724 . . . . 0.0 109.896 179.477 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.425 ' HG ' ' HB2' ' A' ' 7' ' ' LYS . 1.2 tp . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.118 0.485 . . . . 0.0 110.412 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -16.04 26.68 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.182 -0.949 . . . . 0.0 109.256 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -73.65 -21.88 60.14 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.527 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -71.48 -30.21 65.72 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 121.5 0.667 . . . . 0.0 109.726 179.297 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.8 mt -73.14 -30.67 32.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 CA-C-O 121.912 0.863 . . . . 0.0 109.093 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -23.43 61.89 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-O 121.647 0.737 . . . . 0.0 109.328 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -30.97 59.6 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.315 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.527 HD12 ' O ' ' A' ' 7' ' ' LYS . 1.9 mt -83.29 -17.44 42.52 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 121.827 0.822 . . . . 0.0 109.026 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -89.16 -30.29 18.69 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.3 p -75.69 -19.35 59.18 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 121.483 0.659 . . . . 0.0 109.885 179.156 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.207 0.527 . . . . 0.0 110.003 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.33 -23.41 1.42 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.252 -0.905 . . . . 0.0 109.97 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -78.45 -18.11 55.37 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.472 -0.767 . . . . 0.0 109.388 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 4' ' ' LEU . 5.4 tttp -83.03 -25.44 32.15 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.4 mm -78.97 -16.96 13.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.429 ' CD ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -74.87 -29.97 61.18 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.783 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -72.3 -15.81 61.9 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.104 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.463 ' C ' HD23 ' A' ' 11' ' ' LEU . 6.2 tt -81.58 -19.9 40.99 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.524 0.678 . . . . 0.0 109.42 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -83.72 -32.93 25.24 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.838 0.828 . . . . 0.0 109.125 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -79.68 -17.94 52.5 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.458 0 CA-C-O 121.415 0.626 . . . . 0.0 109.883 179.573 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.46 ' HA ' HD12 ' A' ' 4' ' ' LEU . 12.2 tp . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.227 0.537 . . . . 0.0 110.202 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -17.96 10.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.186 -0.946 . . . . 0.0 109.586 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -19.79 57.85 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.684 0.755 . . . . 0.0 109.06 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -78.51 -21.28 49.13 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.688 0.756 . . . . 0.0 109.087 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.7 mm -80.01 -20.06 12.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -79.55 -20.23 47.56 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -77.82 -21.03 52.16 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tt -81.86 -15.33 54.41 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.934 -0.707 . . . . 0.0 109.135 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -84.5 -33.41 23.56 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 121.822 0.82 . . . . 0.0 109.016 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.12 -23.51 59.31 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.739 0.781 . . . . 0.0 108.893 178.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.559 0 CA-C-O 121.493 0.663 . . . . 0.0 109.923 179.416 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 4' ' ' LEU . 26.0 tp . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.334 0.588 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -70.18 -11.48 60.92 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.38 -0.928 . . . . 0.0 109.233 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -73.18 -31.7 64.38 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.501 ' O ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -78.78 -21.75 47.38 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 178.794 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.1 mt -82.47 -18.93 10.67 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.64 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.66 -36.55 57.26 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -74.03 -15.05 61.1 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 7' ' ' LYS . 2.9 mp -83.93 -30.2 26.51 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -71.58 -33.54 69.14 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-O 122.033 0.921 . . . . 0.0 108.792 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.9 t -66.82 -29.36 69.27 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.714 0.769 . . . . 0.0 109.363 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.607 0 CA-C-O 121.466 0.65 . . . . 0.0 109.789 179.312 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.519 HD23 ' HE3' ' A' ' 7' ' ' LYS . 3.0 mp . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 121.077 0.465 . . . . 0.0 110.43 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.58 -24.89 0.38 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.023 -1.048 . . . . 0.0 110.411 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -73.72 -43.47 59.12 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.418 -0.801 . . . . 0.0 109.162 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.519 ' HE3' HD23 ' A' ' 4' ' ' LEU . 2.2 mttt -67.05 -20.42 65.84 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.8 mt -76.97 -20.87 14.51 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -66.9 -39.41 87.44 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 121.829 0.823 . . . . 0.0 108.843 178.843 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -62.83 -29.38 70.69 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.7 mt -81.19 -10.06 59.69 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 1.3 m170 -86.97 -29.59 21.92 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.848 0.832 . . . . 0.0 108.87 178.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.21 -26.28 58.84 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.973 0.892 . . . . 0.0 108.624 178.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.644 0.735 . . . . 0.0 109.835 179.267 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.401 ' O ' HG12 ' A' ' 8' ' ' ILE . 89.9 mt . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.14 0.495 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -75.29 -12.26 60.24 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.075 -1.015 . . . . 0.0 110.009 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -37.31 24.87 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.913 0.864 . . . . 0.0 109.183 179.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -75.41 -15.44 60.45 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.457 ' HA ' HD13 ' A' ' 8' ' ' ILE . 12.5 mm -83.92 -24.19 7.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -76.84 -33.94 57.88 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.555 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.2 m-30 -69.25 -24.9 64.05 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.62 -21.93 57.3 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.893 0.854 . . . . 0.0 108.852 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 2.3 m170 -78.06 -31.63 50.4 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 122.009 0.909 . . . . 0.0 108.795 178.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 t -70.75 -29.94 66.32 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-O 121.78 0.8 . . . . 0.0 109.15 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.638 0 O-C-N 121.647 -0.658 . . . . 0.0 109.643 179.207 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.384 0.612 . . . . 0.0 109.818 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -74.24 -8.42 56.14 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.39 -0.818 . . . . 0.0 108.794 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.24 -31.49 49.24 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -18.74 64.73 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 119.91 -0.716 . . . . 0.0 109.231 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 8' ' ' ILE . 28.2 mm -75.95 -28.19 18.82 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 C-N-CA 119.629 -0.828 . . . . 0.0 109.016 178.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -74.06 -18.46 60.83 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -76.67 -31.51 57.35 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.643 0.735 . . . . 0.0 109.156 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 2.6 mp -72.14 -19.4 61.78 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -75.6 -37.33 59.92 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.791 0.805 . . . . 0.0 108.833 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -17.73 64.56 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 11' ' ' LEU . . . . . . . . 0 C--N 1.304 -1.398 0 O-C-N 121.647 -0.658 . . . . 0.0 109.772 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 121.404 0.621 . . . . 0.0 110.118 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.468 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -46.02 -24.32 0.41 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.401 -0.812 . . . . 0.0 110.12 179.767 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -70.48 -44.47 67.62 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.51 -0.744 . . . . 0.0 109.386 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -22.5 65.23 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 178.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.468 ' HB ' ' O ' ' A' ' 5' ' ' PHE . 26.9 mm -71.22 -26.36 26.9 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -16.22 63.2 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -76.39 -27.23 56.26 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.764 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.022 ' O ' HD23 ' A' ' 11' ' ' LEU . 6.3 tt -77.63 -19.96 54.64 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.775 0.798 . . . . 0.0 108.923 179.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -80.86 -38.09 28.73 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.937 0.875 . . . . 0.0 108.688 178.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.1 m -69.68 -17.96 63.52 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 121.73 0.776 . . . . 0.0 109.339 179.08 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.407 ' C ' HD12 ' A' ' 4' ' ' LEU . 3.1 pp . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.257 0.551 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -53.14 -19.63 3.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.338 -0.851 . . . . 0.0 109.875 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -77.76 -22.87 49.58 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.362 -0.836 . . . . 0.0 109.336 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -78.58 -24.11 45.67 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.635 0.731 . . . . 0.0 109.423 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.743 ' HA ' HD12 ' A' ' 11' ' ' LEU . 27.6 mm -80.18 -23.89 11.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.73 -18.31 48.2 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -75.64 -24.87 56.47 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 8' ' ' ILE . 16.3 mt -71.85 -22.44 61.53 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.779 0.799 . . . . 0.0 109.174 178.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -73.53 -35.73 65.59 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-O 121.709 0.766 . . . . 0.0 109.717 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -23.21 60.93 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.835 0.826 . . . . 0.0 109.193 179.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.552 0 CA-C-O 121.471 0.653 . . . . 0.0 109.915 179.528 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.35 0.595 . . . . 0.0 110.199 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.565 ' CD1' ' HG2' ' A' ' 3' ' ' LYS . 28.0 t-105 -127.14 -57.8 1.3 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.29 -0.882 . . . . 0.0 110.129 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.565 ' HG2' ' CD1' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -165.29 87.92 0.43 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.262 -0.899 . . . . 0.0 110.489 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.585 ' O ' HD12 ' A' ' 4' ' ' LEU . 1.2 pp -81.44 -13.34 58.34 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.049 -1.032 . . . . 0.0 109.781 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.84 -17.32 22.78 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.423 -0.798 . . . . 0.0 108.855 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.461 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -66.51 -32.75 74.3 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.649 0.737 . . . . 0.0 109.11 179.241 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.497 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -62.15 -30.68 71.21 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.171 179.207 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.422 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 80.3 mt -69.8 -18.36 21.98 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.787 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -70.94 -25.91 62.95 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.421 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.497 ' HB3' ' O ' ' A' ' 7' ' ' LYS . 4.8 t80 -63.27 -28.49 70.06 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 6.0 mt -69.02 -29.09 67.18 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.866 0.841 . . . . 0.0 109.158 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -76.99 -33.99 57.56 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-O 121.981 0.896 . . . . 0.0 108.617 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.28 -24.58 62.18 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.71 -13.55 56.17 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.606 0.717 . . . . 0.0 109.107 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 16' ' ' LYS . 31.9 tttt -64.07 -102.47 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.73 -0.606 . . . . 0.0 109.714 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 2.0 mtpt -74.57 118.7 17.83 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.022 -1.049 . . . . 0.0 110.032 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -119.11 59.91 0.83 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.256 -0.903 . . . . 0.0 110.335 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.398 0 O-C-N 119.871 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.256 0.55 . . . . 0.0 110.209 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 3.5 p-90 -148.46 -32.06 0.25 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.345 -0.847 . . . . 0.0 110.653 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -130.12 74.57 1.6 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.002 -1.061 . . . . 0.0 109.949 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.43 -8.17 58.92 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.407 -0.808 . . . . 0.0 110.507 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.35 -13.35 62.21 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.285 -0.884 . . . . 0.0 109.569 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -85.5 -16.86 38.16 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.803 -0.759 . . . . 0.0 109.03 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.39 -24.44 46.31 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.44 ' N ' HD13 ' A' ' 8' ' ' ILE . 8.3 mm -73.56 -19.65 18.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 119.483 -0.887 . . . . 0.0 108.828 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -77.45 -15.94 59.04 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.143 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -78.64 -35.87 44.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.479 -0.763 . . . . 0.0 109.546 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.4 mt -75.67 -17.02 60.1 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.415 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 9.6 m170 -74.6 -36.98 63.0 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.5 -21.93 11.44 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 11' ' ' LEU . . . -69.71 -19.52 63.56 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.036 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 16' ' ' LYS . 10.7 pttp -56.01 -160.36 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.552 -0.718 . . . . 0.0 110.276 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -42.83 166.14 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.282 -0.886 . . . . 0.0 110.128 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.41 -67.99 0.9 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.204 -0.935 . . . . 0.0 110.304 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.846 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.269 0.557 . . . . 0.0 110.166 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 41.2 p90 -172.49 37.28 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.147 -0.971 . . . . 0.0 110.218 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.04 50.07 0.84 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.283 -0.886 . . . . 0.0 110.067 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.483 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 10.4 tp -86.1 -7.62 58.46 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.502 -0.749 . . . . 0.0 109.98 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -68.47 -8.46 41.12 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.212 -0.93 . . . . 0.0 109.917 179.843 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.456 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.1 tttt -83.49 -26.65 30.04 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.356 -0.84 . . . . 0.0 108.967 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -21.45 60.99 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.0 mt -77.69 -15.98 14.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -82.72 -21.29 34.84 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.905 -0.718 . . . . 0.0 109.204 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 10' ' ' PHE . 15.2 t80 -79.93 -25.37 40.53 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.671 -0.812 . . . . 0.0 108.992 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.8 mt -79.88 -18.66 50.14 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.728 0.775 . . . . 0.0 109.317 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -84.12 -30.33 26.02 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 122.02 0.914 . . . . 0.0 108.761 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -22.16 61.23 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.398 0.618 . . . . 0.0 109.381 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.1 -15.54 46.97 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.503 -0.748 . . . . 0.0 109.429 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.28 -88.01 0.06 Allowed 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.626 -0.671 . . . . 0.0 110.039 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -85.38 140.12 31.01 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.857 -1.152 . . . . 0.0 109.795 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -155.86 89.28 1.15 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.186 -0.946 . . . . 0.0 110.436 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.751 -1.843 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 121.13 0.49 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.78 111.69 20.1 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.006 -1.059 . . . . 0.0 109.997 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -125.98 141.71 51.85 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.345 -0.847 . . . . 0.0 110.107 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.05 -12.21 60.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.161 -0.962 . . . . 0.0 110.123 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.45 ' HA ' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -77.67 -5.87 51.92 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.293 -0.879 . . . . 0.0 109.062 178.696 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -86.06 -26.67 25.19 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.815 0.817 . . . . 0.0 109.014 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.64 -20.88 60.46 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 5' ' ' PHE . 85.1 mt -75.82 -19.5 15.59 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -74.68 -30.86 61.73 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.441 179.478 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -69.42 -28.13 65.87 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 121.824 0.821 . . . . 0.0 108.892 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 mp -71.72 -42.38 67.39 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.967 0.889 . . . . 0.0 109.064 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -69.4 -34.79 75.02 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-O 122.105 0.955 . . . . 0.0 108.427 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.6 t -69.44 -20.75 63.77 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.16 -16.4 53.04 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 121.624 0.726 . . . . 0.0 109.405 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -81.06 -24.11 38.06 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.635 0.731 . . . . 0.0 109.724 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -86.09 95.01 9.4 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.649 -0.657 . . . . 0.0 110.302 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -74.3 156.96 36.6 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 120.94 -1.1 . . . . 0.0 110.331 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 119.848 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 2' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 121.331 0.586 . . . . 0.0 110.327 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.471 ' CB ' ' O ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER 67.7 165.1 0.23 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.191 -0.943 . . . . 0.0 110.058 -179.695 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.01 -167.21 1.38 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.201 -0.937 . . . . 0.0 110.269 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.414 ' O ' HD23 ' A' ' 4' ' ' LEU . 7.6 tt -84.57 -11.82 55.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.276 -0.89 . . . . 0.0 111.105 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.27 -10.25 40.42 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.148 -0.97 . . . . 0.0 109.74 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -83.13 -23.08 33.14 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.15 -21.6 62.16 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.487 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 70.5 mt -70.7 -16.36 19.64 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 CA-C-O 121.602 0.715 . . . . 0.0 109.085 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -78.27 -26.04 46.97 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.252 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -73.13 -20.64 60.89 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.487 ' HB3' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -68.37 -23.87 64.72 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.621 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.49 ' HA ' ' HG3' ' A' ' 15' ' ' LYS . 1.8 m170 -82.23 -30.94 30.5 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.821 0.819 . . . . 0.0 109.311 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.69 -20.66 46.03 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . -86.21 -16.1 38.79 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 121.322 0.582 . . . . 0.0 110.209 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HG3' ' HA ' ' A' ' 12' ' ' HIS . 43.9 mttt -41.41 160.13 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.457 -0.777 . . . . 0.0 110.362 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.469 ' CA ' ' HE2' ' A' ' 16' ' ' LYS . 1.1 mmpt? -49.04 149.83 1.78 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.255 -0.903 . . . . 0.0 110.338 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.01 160.0 20.12 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.162 -0.961 . . . . 0.0 110.452 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.288 0 O-C-N 119.848 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.7 tptm . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.25 0.548 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -157.19 96.71 1.59 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.295 -0.878 . . . . 0.0 109.988 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -109.43 63.2 0.6 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.257 -0.902 . . . . 0.0 110.407 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.7 tp -83.84 8.25 15.44 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.294 -0.879 . . . . 0.0 109.976 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -13.01 61.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.324 -0.86 . . . . 0.0 109.778 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.37 -22.32 38.44 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.436 -0.79 . . . . 0.0 108.985 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.417 ' HA ' ' HE2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -72.14 -30.45 65.04 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.718 -0.793 . . . . 0.0 109.035 178.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.7 mt -73.45 -11.95 15.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 C-N-CA 119.584 -0.846 . . . . 0.0 108.969 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -82.61 -24.91 33.64 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.669 0.747 . . . . 0.0 109.137 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -21.43 56.8 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.686 0.755 . . . . 0.0 109.007 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.29 -20.5 47.88 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.746 0.784 . . . . 0.0 109.197 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.467 ' HA ' ' HB2' ' A' ' 15' ' ' LYS . 2.0 m-70 -77.92 -30.5 50.61 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-O 122.032 0.92 . . . . 0.0 108.755 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.2 t -63.94 -35.69 81.51 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.718 0.77 . . . . 0.0 109.424 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.06 -10.86 56.44 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.617 0.723 . . . . 0.0 109.463 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.467 ' HB2' ' HA ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -85.73 -83.85 0.17 Allowed 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 121.659 0.742 . . . . 0.0 110.465 179.8 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.484 ' HD2' ' O ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -45.51 171.8 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.688 -0.632 . . . . 0.0 110.813 -179.639 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.484 ' O ' ' HD2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -112.85 -136.97 0.37 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.44 -0.787 . . . . 0.0 110.192 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.846 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.139 0.495 . . . . 0.0 110.234 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 36.3 p90 -66.79 154.83 39.83 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.253 -0.904 . . . . 0.0 110.182 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.49 ' HG3' ' HB2' ' A' ' 5' ' ' PHE . 2.1 pttp -157.08 173.07 17.56 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.166 -0.959 . . . . 0.0 110.607 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mp -85.38 6.03 28.29 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.298 -0.876 . . . . 0.0 111.16 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.49 ' HB2' ' HG3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -63.78 -10.62 20.87 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.895 -1.128 . . . . 0.0 109.928 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.03 -23.3 35.99 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.349 -0.844 . . . . 0.0 108.763 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -73.59 -18.46 61.06 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.2 mm -78.39 -19.06 13.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -73.64 -27.95 61.53 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -68.19 -17.59 64.37 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 11' ' ' LEU . 1.2 tp -74.33 -23.26 59.02 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 121.663 0.744 . . . . 0.0 109.68 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.516 ' HA ' ' HG2' ' A' ' 15' ' ' LYS . 1.6 m170 -78.37 -29.53 47.47 Favored 'General case' 0 C--N 1.294 -1.84 0 C-N-CA 119.759 -0.776 . . . . 0.0 109.452 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.55 -23.11 63.52 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.27 -7.54 58.96 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.598 -0.688 . . . . 0.0 110.002 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.516 ' HG2' ' HA ' ' A' ' 12' ' ' HIS . 35.5 mmtm -44.95 157.14 0.08 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.407 -0.808 . . . . 0.0 110.588 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -74.67 154.87 38.28 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.23 -0.919 . . . . 0.0 110.653 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.415 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 2.6 p90 -84.21 -160.82 0.49 Allowed 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.261 -0.899 . . . . 0.0 110.117 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.856 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.241 0.543 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -118.43 -144.43 0.37 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.178 -0.951 . . . . 0.0 109.922 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.5 ' HE3' ' CB ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -136.9 -168.99 2.38 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.103 -0.998 . . . . 0.0 110.627 179.767 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.485 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 2.6 tt -79.06 2.34 20.96 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.319 -0.863 . . . . 0.0 111.18 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.5 ' CB ' ' HE3' ' A' ' 3' ' ' LYS . 31.0 t80 -66.6 -14.22 62.11 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.969 -1.082 . . . . 0.0 109.87 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -79.79 -24.07 41.69 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' HB2' ' HG ' ' A' ' 4' ' ' LEU . 18.5 mttt -76.11 -17.67 59.49 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 119.861 -0.735 . . . . 0.0 109.019 178.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 22.1 mt -77.48 -25.29 14.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.356 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -76.65 -22.93 53.38 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.494 -0.882 . . . . 0.0 108.723 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.12 -12.49 60.0 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.797 ' O ' HD23 ' A' ' 11' ' ' LEU . 7.6 tt -86.17 -13.63 46.46 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.5 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 1.8 m170 -84.08 -31.37 25.36 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 121.818 0.818 . . . . 0.0 109.058 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -71.67 -35.3 70.26 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 15' ' ' LYS . . . -87.05 4.67 41.08 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.69 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 4.2 tttt -40.67 161.5 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.232 -0.917 . . . . 0.0 110.597 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' NH2 . 30.0 mttp -80.99 -167.73 1.53 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.444 -0.785 . . . . 0.0 110.485 -179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.05 62.15 0.08 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.399 -0.813 . . . . 0.0 110.328 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 119.813 -1.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.125 0.488 . . . . 0.0 110.067 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -43.67 -27.46 0.31 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.282 -0.886 . . . . 0.0 110.473 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.65 69.11 1.34 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.237 -0.914 . . . . 0.0 110.298 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.689 HD23 ' H ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -75.74 -0.71 21.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.186 -0.946 . . . . 0.0 110.364 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.578 ' HA ' ' HB ' ' A' ' 8' ' ' ILE . 0.6 OUTLIER -62.03 -13.02 21.95 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.276 -0.969 . . . . 0.0 109.572 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -54.53 10.05 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.477 -0.765 . . . . 0.0 109.209 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -69.43 -15.45 63.29 Favored 'General case' 0 C--N 1.294 -1.822 0 C-N-CA 119.566 -0.854 . . . . 0.0 108.79 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.578 ' HB ' ' HA ' ' A' ' 5' ' ' PHE . 4.5 mm -84.38 -26.03 7.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 9' ' ' LYS . 12.8 tptm -68.93 -24.46 64.29 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.24 -27.31 32.54 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.485 HD23 HD13 ' A' ' 8' ' ' ILE . 5.5 tp -85.06 -19.46 31.9 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.511 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 10.7 m170 -80.03 -36.12 36.25 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.9 m -71.57 -29.17 64.42 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.771 0.796 . . . . 0.0 108.874 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.3 -8.91 57.36 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.493 0.663 . . . . 0.0 109.956 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -60.92 172.45 0.97 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.357 -0.84 . . . . 0.0 110.344 -179.623 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.457 ' N ' ' HD2' ' A' ' 15' ' ' LYS . 4.6 mtmm -64.35 100.05 0.33 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.354 -0.841 . . . . 0.0 110.407 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.51 ' HB2' ' CE ' ' A' ' 15' ' ' LYS . 9.5 t80 -163.17 -68.31 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.293 -0.879 . . . . 0.0 110.175 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 66.9 mttt . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.278 0.561 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 34.4 t-105 -108.71 -30.21 8.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.261 -0.899 . . . . 0.0 110.053 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.52 100.8 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.206 -0.934 . . . . 0.0 110.043 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 tp -72.44 -5.52 37.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.175 -0.953 . . . . 0.0 110.165 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -14.42 61.92 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.269 -0.895 . . . . 0.0 109.314 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -77.71 -21.03 52.55 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 121.7 0.762 . . . . 0.0 109.106 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -80.31 -18.74 48.36 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.693 0.758 . . . . 0.0 109.191 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.7 mt -85.39 -22.72 7.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-O 121.726 0.774 . . . . 0.0 109.17 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.93 -23.13 25.24 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.846 0.831 . . . . 0.0 108.83 179.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -89.53 -17.94 27.6 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -90.22 -17.24 27.88 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.413 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -86.45 -30.64 21.89 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.789 0.805 . . . . 0.0 108.86 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.6 m -78.67 -22.6 46.55 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.97 -15.72 40.65 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.424 0.631 . . . . 0.0 109.959 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.37 161.06 31.68 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.455 -0.778 . . . . 0.0 110.161 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -72.22 58.95 0.39 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.216 -0.927 . . . . 0.0 110.339 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -127.48 129.11 46.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.206 -0.934 . . . . 0.0 110.168 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.806 -1.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.471 ' O ' ' HG2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.213 0.53 . . . . 0.0 110.355 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.413 ' CD1' ' C ' ' A' ' 2' ' ' TRP . 4.6 t90 -57.51 104.15 0.16 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.314 -0.867 . . . . 0.0 110.055 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 1' ' ' LYS . 0.2 OUTLIER -154.56 53.0 0.66 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.233 -0.917 . . . . 0.0 110.499 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.646 ' O ' HD12 ' A' ' 4' ' ' LEU . 2.6 pp -85.01 5.63 28.56 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.582 -0.699 . . . . 0.0 110.273 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -56.15 -18.0 8.8 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.188 -0.945 . . . . 0.0 109.623 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -70.95 -39.58 72.52 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.545 0.688 . . . . 0.0 109.953 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -13.31 61.43 Favored 'General case' 0 C--N 1.293 -1.849 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.075 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.506 HD11 HD11 ' A' ' 4' ' ' LEU . 8.2 mt -84.18 -22.7 7.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 178.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.52 -19.68 55.41 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -83.24 -16.31 46.91 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.752 0.787 . . . . 0.0 108.877 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.487 ' HA ' HD13 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -81.8 -36.04 28.83 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.955 0.883 . . . . 0.0 109.086 178.766 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.503 ' HA ' ' CD ' ' A' ' 15' ' ' LYS . 2.4 m-70 -67.9 -32.3 72.67 Favored 'General case' 0 C--N 1.29 -2.012 0 CA-C-O 121.829 0.823 . . . . 0.0 108.931 178.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 t -67.46 -17.55 64.74 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.602 0.715 . . . . 0.0 109.151 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.6 -22.34 32.29 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.62 0.724 . . . . 0.0 109.896 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.503 ' CD ' ' HA ' ' A' ' 12' ' ' HIS . 1.8 mttp -85.66 164.93 17.39 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.64 -0.663 . . . . 0.0 110.175 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -66.01 78.8 0.09 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.263 -0.898 . . . . 0.0 110.104 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -46.54 109.44 0.19 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.236 -0.915 . . . . 0.0 110.24 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.872 -1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.22 0.533 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -109.14 -19.6 13.29 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.122 -0.986 . . . . 0.0 110.16 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -50.38 174.55 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.921 . . . . 0.0 110.359 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.425 ' HG ' ' HB2' ' A' ' 7' ' ' LYS . 1.2 tp -82.54 1.72 36.52 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.247 -0.908 . . . . 0.0 110.412 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -16.04 26.68 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.182 -0.949 . . . . 0.0 109.256 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -73.65 -21.88 60.14 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.527 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -71.48 -30.21 65.72 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 121.5 0.667 . . . . 0.0 109.726 179.297 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.8 mt -73.14 -30.67 32.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 CA-C-O 121.912 0.863 . . . . 0.0 109.093 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -23.43 61.89 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-O 121.647 0.737 . . . . 0.0 109.328 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -30.97 59.6 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.315 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.527 HD12 ' O ' ' A' ' 7' ' ' LYS . 1.9 mt -83.29 -17.44 42.52 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 121.827 0.822 . . . . 0.0 109.026 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -89.16 -30.29 18.69 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.3 p -75.69 -19.35 59.18 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.38 -16.89 38.35 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.483 0.659 . . . . 0.0 109.885 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -72.91 -70.23 0.37 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.416 -0.803 . . . . 0.0 110.117 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.462 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -85.17 106.92 16.97 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-O 121.419 0.628 . . . . 0.0 110.264 179.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.76 2.41 34.05 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.111 -0.993 . . . . 0.0 110.37 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 119.917 -1.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.23 0.538 . . . . 0.0 110.128 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.57 ' CD1' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -110.41 -158.75 0.66 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.189 -0.944 . . . . 0.0 110.071 179.774 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.57 ' HD3' ' CD1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -81.63 51.87 1.78 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.204 -0.935 . . . . 0.0 110.379 -179.823 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 2' ' ' TRP . 0.6 OUTLIER -85.64 15.41 4.69 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.561 -0.712 . . . . 0.0 110.003 179.607 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.33 -23.41 1.42 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.252 -0.905 . . . . 0.0 109.97 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -78.45 -18.11 55.37 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.472 -0.767 . . . . 0.0 109.388 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 4' ' ' LEU . 5.4 tttp -83.03 -25.44 32.15 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.4 mm -78.97 -16.96 13.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' CD ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -74.87 -29.97 61.18 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.783 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -72.3 -15.81 61.9 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.104 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.463 ' C ' HD23 ' A' ' 11' ' ' LEU . 6.2 tt -81.58 -19.9 40.99 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.524 0.678 . . . . 0.0 109.42 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -83.72 -32.93 25.24 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.838 0.828 . . . . 0.0 109.125 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -79.68 -17.94 52.5 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.64 -19.01 31.62 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.415 0.626 . . . . 0.0 109.883 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.43 157.11 0.37 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.366 -0.834 . . . . 0.0 109.75 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.84 136.57 55.62 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.226 -0.921 . . . . 0.0 110.124 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.39 83.19 1.99 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.261 -0.899 . . . . 0.0 110.162 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 119.874 -1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.235 0.541 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -125.7 -65.91 0.97 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.238 -0.914 . . . . 0.0 110.068 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -71.84 115.78 11.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.287 -0.883 . . . . 0.0 110.155 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.46 ' HA ' HD12 ' A' ' 4' ' ' LEU . 12.2 tp -77.31 3.3 13.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.266 -0.896 . . . . 0.0 110.202 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -17.96 10.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.186 -0.946 . . . . 0.0 109.586 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -19.79 57.85 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.684 0.755 . . . . 0.0 109.06 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -78.51 -21.28 49.13 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.688 0.756 . . . . 0.0 109.087 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.7 mm -80.01 -20.06 12.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -79.55 -20.23 47.56 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -77.82 -21.03 52.16 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tt -81.86 -15.33 54.41 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.934 -0.707 . . . . 0.0 109.135 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -84.5 -33.41 23.56 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 121.822 0.82 . . . . 0.0 109.016 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.455 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -74.12 -23.51 59.31 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.739 0.781 . . . . 0.0 108.893 178.838 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.88 -11.56 52.95 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.493 0.663 . . . . 0.0 109.923 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.438 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -63.53 -12.57 33.35 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.362 -0.836 . . . . 0.0 110.12 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -85.62 95.57 9.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.509 -0.744 . . . . 0.0 110.232 179.799 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.99 -77.08 0.5 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.149 -0.97 . . . . 0.0 110.221 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 119.84 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.25 0.548 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -74.91 -48.92 22.2 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.263 -0.898 . . . . 0.0 109.95 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.476 ' HD2' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -104.85 142.35 34.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.497 -0.752 . . . . 0.0 110.267 -179.676 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 4' ' ' LEU . 26.0 tp -82.94 -8.46 59.57 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.245 -0.91 . . . . 0.0 110.009 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -70.18 -11.48 60.92 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.38 -0.928 . . . . 0.0 109.233 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -73.18 -31.7 64.38 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.501 ' O ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -78.78 -21.75 47.38 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 178.794 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.1 mt -82.47 -18.93 10.67 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.64 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.66 -36.55 57.26 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -74.03 -15.05 61.1 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 7' ' ' LYS . 2.9 mp -83.93 -30.2 26.51 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -71.58 -33.54 69.14 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-O 122.033 0.921 . . . . 0.0 108.792 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.9 t -66.82 -29.36 69.27 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.714 0.769 . . . . 0.0 109.363 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.35 -7.73 58.82 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.466 0.65 . . . . 0.0 109.789 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 16' ' ' LYS . 4.0 tttt -48.43 -63.16 1.16 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.409 -0.807 . . . . 0.0 110.333 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 15' ' ' LYS . 3.1 pttp -46.82 175.04 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.604 -0.685 . . . . 0.0 110.124 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -122.04 -93.67 0.51 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.142 -0.974 . . . . 0.0 110.52 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.752 -1.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.431 ' O ' ' HB3' ' A' ' 2' ' ' TRP . 5.2 tttm . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.176 0.512 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.613 ' CG ' ' O ' ' A' ' 2' ' ' TRP . 37.0 t-105 54.52 21.45 3.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.141 -0.974 . . . . 0.0 110.189 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -97.68 41.03 1.14 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.782 -1.199 . . . . 0.0 110.683 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.519 HD23 ' HE3' ' A' ' 7' ' ' LYS . 3.0 mp -87.28 12.95 10.64 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.543 -0.723 . . . . 0.0 110.43 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.58 -24.89 0.38 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.023 -1.048 . . . . 0.0 110.411 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -73.72 -43.47 59.12 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.418 -0.801 . . . . 0.0 109.162 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.519 ' HE3' HD23 ' A' ' 4' ' ' LEU . 2.2 mttt -67.05 -20.42 65.84 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.8 mt -76.97 -20.87 14.51 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -66.9 -39.41 87.44 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 121.829 0.823 . . . . 0.0 108.843 178.843 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -62.83 -29.38 70.69 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.7 mt -81.19 -10.06 59.69 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 1.3 m170 -86.97 -29.59 21.92 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.848 0.832 . . . . 0.0 108.87 178.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.21 -26.28 58.84 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.973 0.892 . . . . 0.0 108.624 178.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.51 -20.66 27.72 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.644 0.735 . . . . 0.0 109.835 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.454 ' HG3' ' HA ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -53.42 169.34 0.13 Allowed 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 121.419 0.628 . . . . 0.0 110.592 -179.649 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -174.76 2.3 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.46 -0.775 . . . . 0.0 110.17 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -75.26 176.37 7.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.097 -1.002 . . . . 0.0 110.158 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.326 0 O-C-N 119.857 -1.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.2 tttt . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.354 0.597 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -174.8 0.73 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.431 -0.793 . . . . 0.0 110.174 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -134.23 68.67 1.48 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.244 -0.91 . . . . 0.0 109.717 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.401 ' O ' HG12 ' A' ' 8' ' ' ILE . 89.9 mt -82.66 11.12 6.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.451 -0.781 . . . . 0.0 110.601 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -75.29 -12.26 60.24 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.075 -1.015 . . . . 0.0 110.009 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -37.31 24.87 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.913 0.864 . . . . 0.0 109.183 179.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -75.41 -15.44 60.45 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.457 ' HA ' HD13 ' A' ' 8' ' ' ILE . 12.5 mm -83.92 -24.19 7.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -76.84 -33.94 57.88 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.555 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.2 m-30 -69.25 -24.9 64.05 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.62 -21.93 57.3 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.893 0.854 . . . . 0.0 108.852 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 2.3 m170 -78.06 -31.63 50.4 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 122.009 0.909 . . . . 0.0 108.795 178.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 t -70.75 -29.94 66.32 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-O 121.78 0.8 . . . . 0.0 109.15 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.47 -8.43 58.37 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.647 -0.658 . . . . 0.0 109.643 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -76.96 -127.21 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.538 -0.726 . . . . 0.0 110.046 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -58.24 170.62 0.67 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.004 -1.06 . . . . 0.0 110.313 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -54.38 174.85 0.06 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.328 -0.857 . . . . 0.0 110.247 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 121.226 0.536 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 3.9 m0 47.93 -171.74 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.247 -0.908 . . . . 0.0 110.231 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.469 ' HB3' ' HD3' ' A' ' 6' ' ' LYS . 24.5 mttp -121.33 53.97 1.14 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.289 -0.882 . . . . 0.0 110.688 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.23 -11.98 57.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.118 -0.989 . . . . 0.0 109.818 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -74.24 -8.42 56.14 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.39 -0.818 . . . . 0.0 108.794 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.469 ' HD3' ' HB3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -78.24 -31.49 49.24 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -18.74 64.73 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 119.91 -0.716 . . . . 0.0 109.231 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 8' ' ' ILE . 28.2 mm -75.95 -28.19 18.82 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 C-N-CA 119.629 -0.828 . . . . 0.0 109.016 178.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -74.06 -18.46 60.83 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -76.67 -31.51 57.35 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.643 0.735 . . . . 0.0 109.156 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 2.6 mp -72.14 -19.4 61.78 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 4.4 m170 -75.6 -37.33 59.92 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.791 0.805 . . . . 0.0 108.833 178.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -17.73 64.56 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 11' ' ' LEU . . . -74.91 -23.76 58.4 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.647 -0.658 . . . . 0.0 109.772 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -60.93 151.64 29.75 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.578 -0.849 . . . . 0.0 109.438 179.442 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.18 148.59 1.76 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.111 -0.993 . . . . 0.0 110.169 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -87.81 101.27 13.54 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.224 -0.922 . . . . 0.0 110.304 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 119.839 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.8 tptm . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.147 0.499 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.577 ' CD1' ' O ' ' A' ' 2' ' ' TRP . 11.9 t90 -61.94 -21.14 64.54 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.244 -0.91 . . . . 0.0 110.316 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.46 -162.3 0.65 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.112 -0.993 . . . . 0.0 110.248 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -86.18 20.66 2.26 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.53 -0.731 . . . . 0.0 110.118 179.444 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.468 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -46.02 -24.32 0.41 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.401 -0.812 . . . . 0.0 110.12 179.767 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -70.48 -44.47 67.62 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.51 -0.744 . . . . 0.0 109.386 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -22.5 65.23 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 178.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.468 ' HB ' ' O ' ' A' ' 5' ' ' PHE . 26.9 mm -71.22 -26.36 26.9 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -16.22 63.2 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -76.39 -27.23 56.26 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.764 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.022 ' O ' HD23 ' A' ' 11' ' ' LEU . 6.3 tt -77.63 -19.96 54.64 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.775 0.798 . . . . 0.0 108.923 179.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.454 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 6.8 m-70 -80.86 -38.09 28.73 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.937 0.875 . . . . 0.0 108.688 178.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.1 m -69.68 -17.96 63.52 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.55 -18.94 31.95 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.73 0.776 . . . . 0.0 109.339 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 0.4 OUTLIER -47.07 158.91 0.12 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.671 -0.643 . . . . 0.0 109.992 179.727 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -82.19 -170.12 2.74 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.196 -0.94 . . . . 0.0 110.243 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -71.05 106.61 3.76 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.231 -0.918 . . . . 0.0 110.186 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 119.909 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.305 0.574 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.531 ' N ' ' CD1' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -74.51 -158.86 0.08 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.242 -0.911 . . . . 0.0 110.399 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.414 ' CG ' ' HB3' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -162.51 -168.78 1.92 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.273 -0.892 . . . . 0.0 110.366 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.407 ' C ' HD12 ' A' ' 4' ' ' LEU . 3.1 pp -70.27 -3.05 15.28 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.368 -0.832 . . . . 0.0 110.342 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -53.14 -19.63 3.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.338 -0.851 . . . . 0.0 109.875 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -77.76 -22.87 49.58 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.362 -0.836 . . . . 0.0 109.336 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -78.58 -24.11 45.67 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.635 0.731 . . . . 0.0 109.423 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.743 ' HA ' HD12 ' A' ' 11' ' ' LEU . 27.6 mm -80.18 -23.89 11.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.73 -18.31 48.2 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -75.64 -24.87 56.47 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 8' ' ' ILE . 16.3 mt -71.85 -22.44 61.53 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.779 0.799 . . . . 0.0 109.174 178.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -73.53 -35.73 65.59 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-O 121.709 0.766 . . . . 0.0 109.717 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -23.21 60.93 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.835 0.826 . . . . 0.0 109.193 179.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.98 -13.69 46.85 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.471 0.653 . . . . 0.0 109.915 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -49.42 159.04 0.36 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.493 -0.754 . . . . 0.0 110.518 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -67.49 148.41 51.54 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.334 -0.854 . . . . 0.0 110.135 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.58 -134.52 0.1 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.146 -0.971 . . . . 0.0 110.149 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.886 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_