data_1d9l_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 1d9l _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 . . . . . . . . . . . . . 14.4 mt . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.236 0.541 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -21.35 62.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.276 -0.89 . . . . 0.0 109.419 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.438 ' HE2' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -70.95 -10.9 60.54 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.598 -0.689 . . . . 0.0 109.678 179.501 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.438 ' HG3' ' HE2' ' A' ' 6' ' ' LYS . 3.6 mttp -95.83 -26.17 15.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.514 -0.741 . . . . 0.0 109.932 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.1 mm -83.68 -19.16 9.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 CA-C-O 121.695 0.76 . . . . 0.0 109.855 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.619 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -71.07 -37.69 72.47 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-O 121.695 0.76 . . . . 0.0 110.121 179.708 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.619 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -72.17 -27.45 62.58 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 122.02 0.914 . . . . 0.0 108.892 179.745 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.0 mt -71.41 -23.01 61.79 Favored 'General case' 0 C--N 1.294 -1.814 0 CA-C-O 121.825 0.821 . . . . 0.0 109.187 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -76.78 -31.5 57.06 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.882 0.849 . . . . 0.0 109.352 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -84.16 -11.46 56.54 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-O 121.425 0.631 . . . . 0.0 109.836 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.428 -0.795 . . . . 0.0 109.816 179.683 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.229 0.538 . . . . 0.0 110.116 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.94 -17.9 54.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.246 -0.909 . . . . 0.0 110.78 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -5.89 40.16 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.149 -0.969 . . . . 0.0 109.972 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.8 -10.26 19.26 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.426 -0.796 . . . . 0.0 109.802 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.421 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 10.5 mt -85.69 -47.89 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.449 -0.782 . . . . 0.0 109.809 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.528 ' HD3' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.29 -20.46 62.93 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.758 0.789 . . . . 0.0 109.251 179.598 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.528 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -86.4 -12.73 48.37 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.576 0.703 . . . . 0.0 109.659 179.702 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 10.3 mt -83.0 -9.79 59.1 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.578 -0.702 . . . . 0.0 110.334 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -104.65 -32.28 8.98 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.29 -0.881 . . . . 0.0 109.463 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.5 t -86.47 -13.25 46.67 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-O 121.468 0.651 . . . . 0.0 109.773 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.453 -0.78 . . . . 0.0 109.47 179.351 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.237 0.542 . . . . 0.0 110.164 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -124.73 -28.74 3.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.041 -1.037 . . . . 0.0 110.87 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.99 -4.62 47.94 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.396 -0.815 . . . . 0.0 110.01 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -100.37 -16.31 17.68 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.4 -0.813 . . . . 0.0 109.743 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.408 ' HA ' HD13 ' A' ' 8' ' ' ILE . 34.4 mm -86.23 -20.63 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 CA-C-O 121.535 0.684 . . . . 0.0 110.13 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.601 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -67.88 -49.32 62.66 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.935 0.874 . . . . 0.0 109.888 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.601 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -67.45 -24.72 65.66 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-O 121.888 0.851 . . . . 0.0 109.709 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.4 mt -72.82 -13.11 61.23 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.346 0.594 . . . . 0.0 110.448 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.27 -28.22 8.34 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.153 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.69 -25.81 64.97 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.481 -0.762 . . . . 0.0 109.666 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.645 0 CA-C-O 121.556 0.693 . . . . 0.0 110.599 179.724 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.093 0.473 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -90.22 -19.26 24.38 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.058 -1.026 . . . . 0.0 111.037 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.11 1.1 33.2 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.255 -0.903 . . . . 0.0 110.15 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -106.22 -12.43 15.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.318 -0.864 . . . . 0.0 109.529 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.493 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 9.1 mt -75.17 -43.33 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 CA-C-O 121.693 0.759 . . . . 0.0 109.479 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.591 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.69 -33.99 74.97 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.876 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -66.08 -20.71 66.25 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.379 0.609 . . . . 0.0 109.941 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 32.7 mt -74.11 -6.81 49.86 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.368 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -109.03 -31.68 7.53 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.711 0.767 . . . . 0.0 109.684 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.11 -6.32 59.04 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.66 -0.65 . . . . 0.0 110.146 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.227 -0.921 . . . . 0.0 110.087 -179.761 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.454 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 5.6 mp . . . . . 0 N--CA 1.495 1.809 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -55.95 -45.86 78.74 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.706 -1.246 . . . . 0.0 109.334 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.97 -0.51 21.81 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.407 0.623 . . . . 0.0 109.539 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.525 ' O ' ' CG ' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -99.72 -8.45 24.28 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.47 -0.769 . . . . 0.0 109.733 179.464 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.3 mt -84.95 -58.93 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 CA-C-O 121.681 0.753 . . . . 0.0 110.54 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.532 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -46.56 -30.68 2.37 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-O 121.379 0.609 . . . . 0.0 111.135 -179.324 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.532 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 9.2 t80 -96.18 -19.14 19.58 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.396 -0.815 . . . . 0.0 110.665 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.525 ' CG ' ' O ' ' A' ' 7' ' ' LYS . 12.3 mt -83.73 9.3 12.11 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.392 -0.818 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.22 -44.07 2.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.287 -0.883 . . . . 0.0 110.541 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.7 t -85.21 -16.76 39.21 Favored 'General case' 0 C--N 1.292 -1.914 0 O-C-N 121.565 -0.709 . . . . 0.0 110.289 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.607 0 O-C-N 121.462 -0.773 . . . . 0.0 110.393 -179.906 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.515 0.674 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -51.13 -23.37 3.15 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.486 -0.759 . . . . 0.0 109.988 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.473 ' HE2' ' HB2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -75.93 -1.11 23.94 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.608 -0.682 . . . . 0.0 110.015 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.473 ' HB2' ' HE2' ' A' ' 6' ' ' LYS . 4.0 ttmm -107.44 -20.51 13.23 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.275 -0.891 . . . . 0.0 109.771 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.434 HG23 HD11 ' A' ' 8' ' ' ILE . 18.2 mm -85.98 -21.82 7.49 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 121.484 -0.76 . . . . 0.0 110.463 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.598 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -80.48 -36.73 33.03 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.287 -0.883 . . . . 0.0 108.835 179.119 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.598 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -69.37 -21.09 63.83 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.677 0.751 . . . . 0.0 109.104 179.636 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.8 mt -85.5 2.01 46.49 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 119.864 -0.735 . . . . 0.0 109.696 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -132.21 -41.34 1.0 Allowed 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.313 -0.867 . . . . 0.0 109.785 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.1 t -85.79 -27.69 25.01 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.556 0.694 . . . . 0.0 110.323 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 10' ' ' PHE . . . . . . . . 0 C--N 1.298 -1.667 0 O-C-N 121.437 -0.789 . . . . 0.0 110.267 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 33.8 mt . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.267 0.556 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -33.13 70.95 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.209 -0.932 . . . . 0.0 110.144 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.458 ' O ' ' HE2' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -66.1 -13.48 60.15 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.499 -0.75 . . . . 0.0 109.694 179.559 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -97.71 -5.93 34.08 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.448 -0.783 . . . . 0.0 109.781 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.3 mm -85.56 -58.27 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.421 -0.799 . . . . 0.0 110.531 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.536 ' HD3' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -53.64 -21.6 7.16 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.515 -0.741 . . . . 0.0 109.945 -179.738 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.536 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 31.2 t80 -88.9 -21.63 23.53 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.795 0.807 . . . . 0.0 109.347 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.3 mt -90.37 -11.22 41.21 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.534 0.683 . . . . 0.0 109.638 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -91.09 -36.71 13.85 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.787 0.803 . . . . 0.0 109.866 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.47 -44.92 23.37 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 121.622 0.725 . . . . 0.0 110.199 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.851 0 O-C-N 121.765 -0.584 . . . . 0.0 110.438 179.901 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.321 0.582 . . . . 0.0 110.169 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.527 ' O ' ' CD1' ' A' ' 5' ' ' PHE . 40.3 t80 -68.46 -9.03 46.04 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.334 -0.854 . . . . 0.0 109.806 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -16.27 60.25 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.421 -0.799 . . . . 0.0 109.356 179.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.469 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 1.2 ttmt -93.38 -17.17 23.83 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.462 0.649 . . . . 0.0 109.85 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.475 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 59.1 mt -75.27 -31.57 24.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 CA-C-O 121.739 0.78 . . . . 0.0 109.508 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.518 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -72.38 -36.9 68.83 Favored 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 119.33 -0.948 . . . . 0.0 108.557 178.678 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.528 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 48.3 t80 -69.57 -8.01 43.59 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 37.8 mt -88.4 14.09 10.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.429 -0.795 . . . . 0.0 110.053 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -124.02 -49.92 1.83 Allowed 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.89 0.852 . . . . 0.0 109.851 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.2 m -86.09 -19.26 30.49 Favored 'General case' 0 C--N 1.292 -1.914 0 C-N-CA 120.221 -0.591 . . . . 0.0 110.814 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 10' ' ' PHE . . . . . . . . 0 N--CA 1.493 1.72 0 O-C-N 121.449 -0.782 . . . . 0.0 111.39 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 121.117 0.484 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -61.48 -18.5 59.32 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.157 -0.964 . . . . 0.0 110.023 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.63 -15.4 60.34 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.513 -0.742 . . . . 0.0 109.698 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 0.8 OUTLIER -90.32 -18.98 24.58 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.705 0.764 . . . . 0.0 109.326 179.388 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 77.9 mt -71.31 -29.61 36.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 CA-C-O 121.601 0.715 . . . . 0.0 109.479 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.57 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -69.32 -47.33 64.78 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.704 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.57 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -58.42 -23.24 56.81 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.091 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mt -78.56 -8.6 58.77 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.391 0.615 . . . . 0.0 109.685 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 1.6 m-70 -97.7 -40.46 8.57 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.514 -0.741 . . . . 0.0 109.772 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.63 -26.07 37.95 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-O 121.866 0.841 . . . . 0.0 108.841 178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 10' ' ' PHE . . . . . . . . 0 C--N 1.298 -1.673 0 CA-C-O 121.345 0.593 . . . . 0.0 109.5 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.463 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.224 0.535 . . . . 0.0 110.121 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -51.97 -20.25 2.26 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.167 -0.958 . . . . 0.0 110.374 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.481 ' HG2' ' HG2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -80.84 -15.9 55.12 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.217 -0.927 . . . . 0.0 109.46 179.618 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.481 ' HG2' ' HG2' ' A' ' 6' ' ' LYS . 8.4 mmtm -93.25 -8.63 41.68 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.502 0.668 . . . . 0.0 109.407 179.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.8 mm -80.85 -31.53 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.401 -0.812 . . . . 0.0 109.322 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.51 ' HD3' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -77.68 -39.6 44.26 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.68 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.51 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 1.4 t80 -74.0 -16.51 61.06 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.772 0.796 . . . . 0.0 108.895 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.405 ' CG ' ' O ' ' A' ' 7' ' ' LYS . 6.3 mt -78.86 0.82 25.64 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.446 0.641 . . . . 0.0 109.85 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -116.22 -36.47 4.05 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.412 -0.805 . . . . 0.0 110.079 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.74 -37.96 17.4 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-O 121.813 0.816 . . . . 0.0 110.157 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.696 0 O-C-N 121.645 -0.659 . . . . 0.0 109.878 179.757 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.217 0.532 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -66.48 -23.19 66.22 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.364 -0.835 . . . . 0.0 110.033 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.474 ' CE ' ' HD2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -65.25 -9.32 22.94 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.676 -0.64 . . . . 0.0 110.012 179.445 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.474 ' HD2' ' CE ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -94.43 -7.46 41.43 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.422 -0.799 . . . . 0.0 109.783 179.594 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 mt -85.13 -41.97 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.355 -0.84 . . . . 0.0 110.135 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.601 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -59.16 -32.71 70.14 Favored 'General case' 0 C--N 1.296 -1.761 0 CA-C-O 121.808 0.813 . . . . 0.0 110.041 -179.742 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.601 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 42.8 t80 -73.66 -20.37 60.58 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-O 121.843 0.83 . . . . 0.0 109.729 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mt -81.41 -8.87 59.8 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 121.376 0.608 . . . . 0.0 110.455 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.45 -35.77 9.07 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.748 0.785 . . . . 0.0 109.98 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.76 -12.67 57.34 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.524 -0.735 . . . . 0.0 109.787 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 121.788 0.804 . . . . 0.0 110.354 179.535 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.2 mt . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.276 0.56 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -34.96 78.93 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.363 -0.835 . . . . 0.0 110.431 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.465 ' O ' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -73.98 -3.18 27.62 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.57 -0.706 . . . . 0.0 109.935 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.522 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -108.69 -15.78 14.33 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.358 -0.839 . . . . 0.0 109.994 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.468 ' HA ' HD13 ' A' ' 11' ' ' LEU . 66.4 mt -86.39 -34.28 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.464 -0.772 . . . . 0.0 110.513 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.582 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -67.95 -25.02 65.24 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.512 -0.743 . . . . 0.0 109.726 -179.805 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.582 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 12.9 t80 -76.51 -35.19 58.46 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.423 -0.798 . . . . 0.0 109.864 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.522 ' CD1' ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -63.18 -11.18 18.89 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.415 -0.803 . . . . 0.0 109.722 179.38 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -96.22 -51.19 4.5 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-O 121.757 0.789 . . . . 0.0 110.455 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.7 m -85.38 -24.71 27.44 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.537 -0.727 . . . . 0.0 110.702 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 10' ' ' PHE . . . . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.364 -0.835 . . . . 0.0 110.284 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.474 ' O ' HG13 ' A' ' 8' ' ' ILE . 14.5 mt . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 120.901 0.381 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.91 -21.03 57.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.957 -1.089 . . . . 0.0 110.576 -179.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -85.54 15.7 4.37 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.411 -0.805 . . . . 0.0 110.12 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.43 -25.37 2.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.327 -0.858 . . . . 0.0 110.731 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 4' ' ' LEU . 41.4 mt -81.76 -23.45 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.304 -0.873 . . . . 0.0 109.72 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.568 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -76.97 -28.21 55.05 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.945 0.879 . . . . 0.0 108.744 179.156 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.568 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -80.57 -15.92 55.46 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.461 0.648 . . . . 0.0 109.662 179.806 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.9 mt -80.84 -7.74 59.52 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.352 -0.843 . . . . 0.0 110.29 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.16 -25.45 9.72 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.868 0.842 . . . . 0.0 109.778 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.71 -16.74 38.01 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 121.57 0.7 . . . . 0.0 109.54 179.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.675 -0.641 . . . . 0.0 111.107 -179.658 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.365 0.602 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.36 -56.15 8.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.486 -0.759 . . . . 0.0 111.01 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.3 -8.94 36.07 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.597 -0.689 . . . . 0.0 110.592 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -96.39 -15.45 21.81 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.222 -0.924 . . . . 0.0 110.085 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 11' ' ' LEU . 63.6 mt -73.87 -63.26 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 CA-C-O 121.862 0.839 . . . . 0.0 109.431 179.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.58 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -47.85 -27.77 2.26 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-O 121.545 0.688 . . . . 0.0 110.469 179.625 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.58 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 40.2 t80 -81.93 -18.48 43.45 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.485 -0.76 . . . . 0.0 109.985 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 8' ' ' ILE . 6.1 mt -86.2 0.63 53.23 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.624 -0.672 . . . . 0.0 109.952 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -107.91 -31.24 8.08 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-O 121.842 0.83 . . . . 0.0 110.181 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 t -85.89 -42.88 13.71 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-O 121.515 0.674 . . . . 0.0 111.059 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.834 0 O-C-N 121.465 -0.772 . . . . 0.0 110.083 -179.653 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.247 0.546 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.62 -18.23 58.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.252 -0.905 . . . . 0.0 110.353 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -85.54 -3.28 58.82 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.394 -0.816 . . . . 0.0 109.911 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -111.81 -15.07 13.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.353 -0.842 . . . . 0.0 109.918 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.4 ' HA ' ' HB2' ' A' ' 11' ' ' LEU . 22.6 mm -79.79 -41.82 22.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 CA-C-O 121.846 0.831 . . . . 0.0 109.499 179.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.532 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.12 -34.86 75.65 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 121.568 0.699 . . . . 0.0 109.727 179.532 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.532 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -83.4 -21.24 33.08 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.847 0.832 . . . . 0.0 109.109 178.879 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.4 ' HB2' ' HA ' ' A' ' 8' ' ' ILE . 6.1 mt -72.28 -15.7 61.9 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.613 0.721 . . . . 0.0 109.741 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -92.3 -32.73 14.9 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.88 0.848 . . . . 0.0 109.321 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.16 -3.55 58.98 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.77 -0.581 . . . . 0.0 110.187 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.376 -0.828 . . . . 0.0 110.278 -179.782 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.445 ' O ' HG13 ' A' ' 8' ' ' ILE . 1.4 mt . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.497 0.665 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.95 -27.84 33.65 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.535 -0.728 . . . . 0.0 110.831 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.76 -12.71 58.45 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.55 -0.719 . . . . 0.0 110.654 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -100.1 -12.63 19.5 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.868 . . . . 0.0 110.021 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 4' ' ' LEU . 71.0 mt -85.96 -26.73 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.324 -0.86 . . . . 0.0 109.858 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.541 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -68.78 -49.57 57.56 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-O 121.84 0.829 . . . . 0.0 108.997 179.289 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.541 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -59.16 -26.07 64.44 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-O 121.788 0.804 . . . . 0.0 109.267 179.594 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.7 mt -86.66 3.33 45.11 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.193 0.521 . . . . 0.0 110.386 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -117.27 -43.89 2.81 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.233 -0.917 . . . . 0.0 110.598 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.33 -22.05 28.67 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-O 121.383 0.611 . . . . 0.0 110.631 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 10' ' ' PHE . . . . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.317 -0.865 . . . . 0.0 110.471 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.2 mt . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.275 0.559 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -73.05 -5.5 39.33 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.243 -0.911 . . . . 0.0 110.007 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -85.38 -4.46 59.17 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.392 -0.818 . . . . 0.0 110.246 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.436 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -101.4 -22.16 14.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.307 -0.871 . . . . 0.0 110.257 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.462 HD11 HG22 ' A' ' 8' ' ' ILE . 14.8 mt -85.43 -15.24 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.526 -0.734 . . . . 0.0 109.999 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.586 ' HE3' ' CE2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -74.53 -42.17 59.33 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.513 -0.742 . . . . 0.0 109.774 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.586 ' CE2' ' HE3' ' A' ' 9' ' ' LYS . 1.2 m-85 -76.94 -16.44 59.36 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.803 0.811 . . . . 0.0 109.601 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 7' ' ' LYS . 54.7 mt -86.7 -2.3 58.42 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.709 -0.619 . . . . 0.0 110.407 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.36 -28.96 10.04 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.279 -0.888 . . . . 0.0 109.709 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.6 m -86.08 -26.31 25.37 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-O 121.54 0.686 . . . . 0.0 110.015 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.713 0 O-C-N 121.569 -0.707 . . . . 0.0 110.26 179.999 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 121.266 0.555 . . . . 0.0 110.255 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 5' ' ' PHE . 15.6 t80 -50.84 -49.68 58.29 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.284 -0.885 . . . . 0.0 110.214 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -59.71 -14.94 16.31 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-O 121.585 0.707 . . . . 0.0 109.934 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.87 -16.61 23.89 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.508 -0.745 . . . . 0.0 109.994 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.454 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 41.1 mt -70.95 -32.57 48.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 CA-C-O 121.889 0.852 . . . . 0.0 108.919 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.537 ' CD ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -69.0 -47.59 65.15 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.844 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.47 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -65.73 -10.84 40.4 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-O 121.448 0.642 . . . . 0.0 109.384 178.906 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 10.4 mt -82.81 -8.64 59.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.4 -0.812 . . . . 0.0 110.406 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.58 -28.93 9.47 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.879 0.847 . . . . 0.0 109.123 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.32 -13.6 49.11 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.645 0.736 . . . . 0.0 109.391 178.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 10' ' ' PHE . . . . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.492 -0.755 . . . . 0.0 110.215 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.417 HD12 HD11 ' A' ' 8' ' ' ILE . 1.4 pp . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.22 0.533 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -57.41 -27.4 62.34 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.39 -0.819 . . . . 0.0 110.407 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -79.81 -1.05 37.11 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.551 -0.718 . . . . 0.0 109.81 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -101.42 -17.76 16.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.44 -0.787 . . . . 0.0 109.224 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.424 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 29.9 mt -85.74 -39.49 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 CA-C-O 121.861 0.838 . . . . 0.0 109.866 179.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.595 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -57.97 -28.16 64.1 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.246 0.546 . . . . 0.0 110.783 -179.52 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.595 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 85.7 t80 -89.86 -37.26 14.57 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.345 -0.847 . . . . 0.0 109.694 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.4 mt -75.0 -4.66 39.63 Favored 'General case' 0 C--N 1.293 -1.871 0 CA-C-O 121.568 0.699 . . . . 0.0 109.251 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 3.2 m170 -103.0 -30.88 10.5 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-O 121.802 0.81 . . . . 0.0 109.703 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.2 p -85.59 -19.2 31.4 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-O 121.39 0.614 . . . . 0.0 110.569 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.394 -0.816 . . . . 0.0 110.146 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.28 0.562 . . . . 0.0 110.169 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -69.36 -24.37 63.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.257 -0.902 . . . . 0.0 110.268 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -70.96 -5.71 33.08 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.418 -0.801 . . . . 0.0 110.474 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.404 ' O ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -109.5 -5.59 15.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.24 -0.913 . . . . 0.0 109.76 179.323 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.438 ' HA ' HD13 ' A' ' 11' ' ' LEU . 39.0 mm -80.44 -49.9 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.288 -0.882 . . . . 0.0 109.318 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.546 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.64 -26.87 68.27 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-O 121.924 0.869 . . . . 0.0 108.74 179.206 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.546 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -75.83 -20.61 58.02 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 121.856 0.836 . . . . 0.0 109.365 179.434 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 8' ' ' ILE . 16.4 mt -85.39 2.76 43.01 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.443 0.64 . . . . 0.0 110.195 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.54 -29.64 8.66 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.304 -0.872 . . . . 0.0 109.027 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.82 -21.18 28.23 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 121.586 0.708 . . . . 0.0 109.511 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.823 0.821 . . . . 0.0 109.684 179.613 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.426 ' CG ' ' N ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.194 0.521 . . . . 0.0 110.285 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.426 ' N ' ' CG ' ' A' ' 1' ' ' LYS . 1.1 t90 -161.63 -158.59 0.57 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.187 -0.946 . . . . 0.0 110.164 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.7 pttm -163.9 114.08 1.28 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.228 -0.92 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.4 mt -70.71 -4.08 21.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.111 -0.993 . . . . 0.0 110.253 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -21.35 62.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.276 -0.89 . . . . 0.0 109.419 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.438 ' HE2' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -70.95 -10.9 60.54 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.598 -0.689 . . . . 0.0 109.678 179.501 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.438 ' HG3' ' HE2' ' A' ' 6' ' ' LYS . 3.6 mttp -95.83 -26.17 15.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.514 -0.741 . . . . 0.0 109.932 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.1 mm -83.68 -19.16 9.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 CA-C-O 121.695 0.76 . . . . 0.0 109.855 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.619 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -71.07 -37.69 72.47 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-O 121.695 0.76 . . . . 0.0 110.121 179.708 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.619 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -72.17 -27.45 62.58 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 122.02 0.914 . . . . 0.0 108.892 179.745 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.0 mt -71.41 -23.01 61.79 Favored 'General case' 0 C--N 1.294 -1.814 0 CA-C-O 121.825 0.821 . . . . 0.0 109.187 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -76.78 -31.5 57.06 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.882 0.849 . . . . 0.0 109.352 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -84.16 -11.46 56.54 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-O 121.425 0.631 . . . . 0.0 109.836 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.54 -16.18 58.82 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.428 -0.795 . . . . 0.0 109.816 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -77.38 3.4 13.31 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.641 -0.662 . . . . 0.0 110.225 179.802 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 15' ' ' LYS . 5.9 mmtt -40.33 136.79 1.18 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.437 -0.79 . . . . 0.0 110.862 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -87.96 77.6 8.43 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.43 -0.794 . . . . 0.0 109.974 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.291 0 O-C-N 119.822 -1.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.367 0.604 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER 46.46 -161.44 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.301 -0.874 . . . . 0.0 110.018 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.23 94.61 5.25 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.205 -0.935 . . . . 0.0 110.439 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.57 14.54 5.51 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.246 -0.909 . . . . 0.0 110.116 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.94 -17.9 54.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.246 -0.909 . . . . 0.0 110.78 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -5.89 40.16 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.149 -0.969 . . . . 0.0 109.972 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.8 -10.26 19.26 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.426 -0.796 . . . . 0.0 109.802 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.421 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 10.5 mt -85.69 -47.89 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.449 -0.782 . . . . 0.0 109.809 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.528 ' HD3' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.29 -20.46 62.93 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.758 0.789 . . . . 0.0 109.251 179.598 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.528 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -86.4 -12.73 48.37 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.576 0.703 . . . . 0.0 109.659 179.702 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.464 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 10.3 mt -83.0 -9.79 59.1 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.578 -0.702 . . . . 0.0 110.334 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -104.65 -32.28 8.98 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.29 -0.881 . . . . 0.0 109.463 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.417 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 3.5 t -86.47 -13.25 46.67 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-O 121.468 0.651 . . . . 0.0 109.773 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.61 -14.03 57.26 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.453 -0.78 . . . . 0.0 109.47 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.464 ' HD2' ' O ' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -68.0 -9.99 49.99 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 121.429 0.633 . . . . 0.0 109.763 179.522 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 13' ' ' SER . 19.8 mttt -53.92 132.61 42.32 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.483 -0.761 . . . . 0.0 110.078 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -69.46 -44.41 71.29 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.252 -0.905 . . . . 0.0 110.24 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.897 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 121.313 0.578 . . . . 0.0 110.069 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -157.06 152.08 26.04 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.259 -0.901 . . . . 0.0 110.264 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.444 ' HE2' ' HE2' ' A' ' 6' ' ' LYS . 12.8 mtpt -103.66 0.45 30.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.2 -0.937 . . . . 0.0 110.288 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.61 14.85 5.15 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.217 -0.927 . . . . 0.0 110.164 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -124.73 -28.74 3.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.041 -1.037 . . . . 0.0 110.87 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.444 ' HE2' ' HE2' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -77.99 -4.62 47.94 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.396 -0.815 . . . . 0.0 110.01 179.821 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -100.37 -16.31 17.68 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.4 -0.813 . . . . 0.0 109.743 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.408 ' HA ' HD13 ' A' ' 8' ' ' ILE . 34.4 mm -86.23 -20.63 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 CA-C-O 121.535 0.684 . . . . 0.0 110.13 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.601 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -67.88 -49.32 62.66 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.935 0.874 . . . . 0.0 109.888 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.601 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -67.45 -24.72 65.66 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-O 121.888 0.851 . . . . 0.0 109.709 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.4 mt -72.82 -13.11 61.23 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.346 0.594 . . . . 0.0 110.448 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.478 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -111.27 -28.22 8.34 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.153 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.69 -25.81 64.97 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.481 -0.762 . . . . 0.0 109.666 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.31 -35.93 19.59 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.556 0.693 . . . . 0.0 110.599 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.77 -38.18 33.76 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.562 0.696 . . . . 0.0 110.351 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 1.0 OUTLIER -85.52 131.07 34.43 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.677 -0.639 . . . . 0.0 110.082 179.766 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -45.47 138.43 4.33 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.21 -0.932 . . . . 0.0 110.075 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 119.798 -1.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.403 ' HB3' ' HE3' ' A' ' 1' ' ' LYS . 11.1 mtpp . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.137 0.494 . . . . 0.0 110.088 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -97.47 94.51 7.07 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.272 -0.892 . . . . 0.0 110.082 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -160.27 76.63 0.61 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.27 -0.894 . . . . 0.0 111.002 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.36 5.33 31.23 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.255 -0.903 . . . . 0.0 110.212 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -90.22 -19.26 24.38 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.058 -1.026 . . . . 0.0 111.037 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.11 1.1 33.2 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.255 -0.903 . . . . 0.0 110.15 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -106.22 -12.43 15.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.318 -0.864 . . . . 0.0 109.529 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.493 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 9.1 mt -75.17 -43.33 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 CA-C-O 121.693 0.759 . . . . 0.0 109.479 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.591 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.69 -33.99 74.97 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.876 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -66.08 -20.71 66.25 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.379 0.609 . . . . 0.0 109.941 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 32.7 mt -74.11 -6.81 49.86 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.368 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -109.03 -31.68 7.53 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.711 0.767 . . . . 0.0 109.684 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.11 -6.32 59.04 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.66 -0.65 . . . . 0.0 110.146 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.62 -42.21 35.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.227 -0.921 . . . . 0.0 110.087 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -85.04 -104.69 0.05 Allowed 'General case' 0 C--N 1.293 -1.877 0 O-C-N 121.671 -0.643 . . . . 0.0 109.625 179.518 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' A' ' 15' ' ' LYS . 9.3 mttm -56.72 -162.14 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.971 -1.081 . . . . 0.0 110.039 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -79.99 -52.3 8.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.272 -0.892 . . . . 0.0 110.207 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 119.905 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.171 0.51 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.496 ' CG ' ' N ' ' A' ' 3' ' ' LYS . 30.2 t-105 -113.19 -92.01 0.49 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.212 -0.93 . . . . 0.0 110.486 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.496 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 2.2 mmtp -140.34 -100.88 0.15 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.114 -0.991 . . . . 0.0 111.218 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.454 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 5.6 mp -85.32 3.8 38.04 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.215 -0.928 . . . . 0.0 111.879 -178.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -55.95 -45.86 78.74 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.706 -1.246 . . . . 0.0 109.334 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.97 -0.51 21.81 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.407 0.623 . . . . 0.0 109.539 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.525 ' O ' ' CG ' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -99.72 -8.45 24.28 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.47 -0.769 . . . . 0.0 109.733 179.464 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.3 mt -84.95 -58.93 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 CA-C-O 121.681 0.753 . . . . 0.0 110.54 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.532 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -46.56 -30.68 2.37 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-O 121.379 0.609 . . . . 0.0 111.135 -179.324 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.532 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 9.2 t80 -96.18 -19.14 19.58 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.396 -0.815 . . . . 0.0 110.665 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.525 ' CG ' ' O ' ' A' ' 7' ' ' LYS . 12.3 mt -83.73 9.3 12.11 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.392 -0.818 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.22 -44.07 2.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.287 -0.883 . . . . 0.0 110.541 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.7 t -85.21 -16.76 39.21 Favored 'General case' 0 C--N 1.292 -1.914 0 O-C-N 121.565 -0.709 . . . . 0.0 110.289 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.67 -30.61 23.07 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.462 -0.773 . . . . 0.0 110.393 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -85.84 144.56 27.65 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.614 -0.679 . . . . 0.0 110.572 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -48.27 145.36 3.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.325 -0.859 . . . . 0.0 109.862 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -127.33 72.18 1.37 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.207 -0.933 . . . . 0.0 110.236 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.814 -1.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.321 0.581 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -109.23 -69.16 0.87 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.22 -0.925 . . . . 0.0 109.653 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 6' ' ' LYS . 1.2 mmtt -145.11 -165.5 2.18 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.442 -0.786 . . . . 0.0 109.84 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.6 -13.26 13.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.236 -0.915 . . . . 0.0 109.864 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -51.13 -23.37 3.15 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.486 -0.759 . . . . 0.0 109.988 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -75.93 -1.11 23.94 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.608 -0.682 . . . . 0.0 110.015 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.473 ' HB2' ' HE2' ' A' ' 6' ' ' LYS . 4.0 ttmm -107.44 -20.51 13.23 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.275 -0.891 . . . . 0.0 109.771 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.434 HG23 HD11 ' A' ' 8' ' ' ILE . 18.2 mm -85.98 -21.82 7.49 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 121.484 -0.76 . . . . 0.0 110.463 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.598 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -80.48 -36.73 33.03 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.287 -0.883 . . . . 0.0 108.835 179.119 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.598 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -69.37 -21.09 63.83 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.677 0.751 . . . . 0.0 109.104 179.636 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.461 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 14.8 mt -85.5 2.01 46.49 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 119.864 -0.735 . . . . 0.0 109.696 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -132.21 -41.34 1.0 Allowed 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.313 -0.867 . . . . 0.0 109.785 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.1 t -85.79 -27.69 25.01 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.556 0.694 . . . . 0.0 110.323 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 10' ' ' PHE . . . -86.03 -10.38 55.13 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.437 -0.789 . . . . 0.0 110.267 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.461 ' HD2' ' O ' ' A' ' 11' ' ' LEU . 20.7 mttp -64.4 -98.69 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.444 -0.785 . . . . 0.0 110.108 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -82.66 165.46 19.98 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.125 -0.985 . . . . 0.0 110.528 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -81.98 102.81 11.19 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.348 -0.845 . . . . 0.0 110.162 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.988 -1.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' A' ' 6' ' ' LYS . 6.0 ttmt . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.378 0.609 . . . . 0.0 110.245 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.45 ' CD1' ' HB2' ' A' ' 3' ' ' LYS . 60.3 t-105 -158.1 -92.57 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.367 -0.833 . . . . 0.0 109.863 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.45 ' HB2' ' CD1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -90.39 -171.89 3.25 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.139 -0.975 . . . . 0.0 109.772 179.506 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 33.8 mt -75.97 1.64 14.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.204 -0.935 . . . . 0.0 109.851 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -33.13 70.95 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.209 -0.932 . . . . 0.0 110.144 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.458 ' O ' ' HE2' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -66.1 -13.48 60.15 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.499 -0.75 . . . . 0.0 109.694 179.559 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -97.71 -5.93 34.08 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.448 -0.783 . . . . 0.0 109.781 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.3 mm -85.56 -58.27 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.421 -0.799 . . . . 0.0 110.531 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.536 ' HD3' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -53.64 -21.6 7.16 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.515 -0.741 . . . . 0.0 109.945 -179.738 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.536 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 31.2 t80 -88.9 -21.63 23.53 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.795 0.807 . . . . 0.0 109.347 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.3 mt -90.37 -11.22 41.21 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.534 0.683 . . . . 0.0 109.638 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -91.09 -36.71 13.85 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.787 0.803 . . . . 0.0 109.866 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.47 -44.92 23.37 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 121.622 0.725 . . . . 0.0 110.199 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.76 24.91 1.16 Allowed 'General case' 0 C--N 1.293 -1.851 0 O-C-N 121.765 -0.584 . . . . 0.0 110.438 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.59 158.7 0.42 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.171 -0.955 . . . . 0.0 110.281 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -84.86 101.28 12.17 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.344 -0.848 . . . . 0.0 109.901 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -87.72 -21.66 25.06 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.323 -0.86 . . . . 0.0 109.925 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.392 0 O-C-N 119.84 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.195 0.522 . . . . 0.0 110.09 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.479 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 20.6 t-105 -99.67 3.1 44.98 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.247 -0.908 . . . . 0.0 110.131 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.61 137.88 23.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.3 -0.875 . . . . 0.0 110.117 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.01 -5.5 39.22 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.364 -0.835 . . . . 0.0 110.169 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.527 ' O ' ' CD1' ' A' ' 5' ' ' PHE . 40.3 t80 -68.46 -9.03 46.04 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.334 -0.854 . . . . 0.0 109.806 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -16.27 60.25 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.421 -0.799 . . . . 0.0 109.356 179.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.469 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 1.2 ttmt -93.38 -17.17 23.83 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.462 0.649 . . . . 0.0 109.85 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.475 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 59.1 mt -75.27 -31.57 24.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 CA-C-O 121.739 0.78 . . . . 0.0 109.508 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.518 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -72.38 -36.9 68.83 Favored 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 119.33 -0.948 . . . . 0.0 108.557 178.678 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.528 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 48.3 t80 -69.57 -8.01 43.59 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 37.8 mt -88.4 14.09 10.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.429 -0.795 . . . . 0.0 110.053 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -124.02 -49.92 1.83 Allowed 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.89 0.852 . . . . 0.0 109.851 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.2 m -86.09 -19.26 30.49 Favored 'General case' 0 C--N 1.292 -1.914 0 C-N-CA 120.221 -0.591 . . . . 0.0 110.814 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 10' ' ' PHE . . . -85.4 1.65 47.75 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.449 -0.782 . . . . 0.0 111.39 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.501 ' HG3' ' N ' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -61.94 -157.12 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.985 -1.072 . . . . 0.0 110.221 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.501 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -83.09 48.48 1.38 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.225 -0.922 . . . . 0.0 110.822 -179.625 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -144.37 169.48 17.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.182 -0.949 . . . . 0.0 109.93 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.402 0 O-C-N 119.908 -1.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 2' ' ' TRP . 14.1 mtpp . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.192 0.52 . . . . 0.0 110.08 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.442 ' CB ' ' O ' ' A' ' 1' ' ' LYS . 0.7 OUTLIER 63.88 -144.4 0.31 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.306 -0.871 . . . . 0.0 109.716 -179.59 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -140.08 -154.09 0.5 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.132 -0.98 . . . . 0.0 110.077 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.68 10.24 11.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.22 -0.925 . . . . 0.0 110.29 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -61.48 -18.5 59.32 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.157 -0.964 . . . . 0.0 110.023 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.63 -15.4 60.34 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.513 -0.742 . . . . 0.0 109.698 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 0.8 OUTLIER -90.32 -18.98 24.58 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.705 0.764 . . . . 0.0 109.326 179.388 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 77.9 mt -71.31 -29.61 36.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 CA-C-O 121.601 0.715 . . . . 0.0 109.479 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.57 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -69.32 -47.33 64.78 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.704 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.57 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -58.42 -23.24 56.81 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.091 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mt -78.56 -8.6 58.77 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.391 0.615 . . . . 0.0 109.685 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 1.6 m-70 -97.7 -40.46 8.57 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.514 -0.741 . . . . 0.0 109.772 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.63 -26.07 37.95 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-O 121.866 0.841 . . . . 0.0 108.841 178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 10' ' ' PHE . . . -85.8 11.89 10.23 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-O 121.345 0.593 . . . . 0.0 109.5 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.28 143.26 0.64 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.396 -0.815 . . . . 0.0 110.579 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 17' ' ' PHE . 3.2 mtpt -70.45 -159.02 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.341 -0.849 . . . . 0.0 109.897 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.482 ' CG ' ' N ' ' A' ' 18' ' ' NH2 . 0.3 OUTLIER -57.86 -152.77 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.184 -0.947 . . . . 0.0 110.575 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . 0.482 ' N ' ' CG ' ' A' ' 17' ' ' PHE . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.822 -1.799 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.409 0.624 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.514 ' CE3' ' HA ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -81.15 -154.74 0.11 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.277 -0.889 . . . . 0.0 110.2 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -71.57 -107.24 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.142 -0.974 . . . . 0.0 110.081 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.463 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -79.67 8.1 7.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.927 -1.108 . . . . 0.0 110.121 179.62 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -51.97 -20.25 2.26 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.167 -0.958 . . . . 0.0 110.374 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.481 ' HG2' ' HG2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -80.84 -15.9 55.12 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.217 -0.927 . . . . 0.0 109.46 179.618 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.481 ' HG2' ' HG2' ' A' ' 6' ' ' LYS . 8.4 mmtm -93.25 -8.63 41.68 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.502 0.668 . . . . 0.0 109.407 179.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.8 mm -80.85 -31.53 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.401 -0.812 . . . . 0.0 109.322 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.51 ' HD3' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -77.68 -39.6 44.26 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.68 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.51 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 1.4 t80 -74.0 -16.51 61.06 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.772 0.796 . . . . 0.0 108.895 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.405 ' CG ' ' O ' ' A' ' 7' ' ' LYS . 6.3 mt -78.86 0.82 25.64 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.446 0.641 . . . . 0.0 109.85 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.462 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -116.22 -36.47 4.05 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.412 -0.805 . . . . 0.0 110.079 -179.645 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.74 -37.96 17.4 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-O 121.813 0.816 . . . . 0.0 110.157 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.46 15.03 4.78 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.645 -0.659 . . . . 0.0 109.878 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -54.01 170.67 0.12 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.28 -0.888 . . . . 0.0 110.296 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -80.63 -177.79 6.44 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.299 -0.876 . . . . 0.0 110.176 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.544 ' O ' ' CG ' ' A' ' 17' ' ' PHE . 55.5 t80 -103.49 7.55 37.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.146 -0.971 . . . . 0.0 110.301 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.893 -1.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.053 0.454 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -82.12 -152.87 0.11 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.097 -1.002 . . . . 0.0 109.935 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 6' ' ' LYS . 3.5 tttt -157.92 96.27 1.46 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.199 -0.938 . . . . 0.0 109.93 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mp -78.94 3.91 15.72 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.492 -0.755 . . . . 0.0 109.976 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -66.48 -23.19 66.22 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.364 -0.835 . . . . 0.0 110.033 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.474 ' CE ' ' HD2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -65.25 -9.32 22.94 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.676 -0.64 . . . . 0.0 110.012 179.445 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.474 ' HD2' ' CE ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -94.43 -7.46 41.43 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.422 -0.799 . . . . 0.0 109.783 179.594 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 mt -85.13 -41.97 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.355 -0.84 . . . . 0.0 110.135 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.601 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -59.16 -32.71 70.14 Favored 'General case' 0 C--N 1.296 -1.761 0 CA-C-O 121.808 0.813 . . . . 0.0 110.041 -179.742 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.601 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 42.8 t80 -73.66 -20.37 60.58 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-O 121.843 0.83 . . . . 0.0 109.729 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mt -81.41 -8.87 59.8 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 121.376 0.608 . . . . 0.0 110.455 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.505 ' O ' ' HB3' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -101.45 -35.77 9.07 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.748 0.785 . . . . 0.0 109.98 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.76 -12.67 57.34 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.524 -0.735 . . . . 0.0 109.787 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 15' ' ' LYS . . . -65.79 -60.19 3.13 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-O 121.788 0.804 . . . . 0.0 110.354 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -55.67 -162.26 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.815 0 CA-C-O 121.382 0.61 . . . . 0.0 110.969 -179.547 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.41 -5.69 20.47 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.465 -0.772 . . . . 0.0 110.881 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.505 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 1.8 t80 -83.76 60.35 5.71 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.324 -0.86 . . . . 0.0 110.298 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.936 -1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.16 0.505 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.426 ' O ' ' O ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER 58.26 161.04 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.219 -0.925 . . . . 0.0 109.761 -179.791 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.44 96.6 2.8 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.169 -0.957 . . . . 0.0 110.405 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.2 mt -83.74 6.23 21.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.405 -0.809 . . . . 0.0 109.87 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -34.96 78.93 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.363 -0.835 . . . . 0.0 110.431 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.465 ' O ' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -73.98 -3.18 27.62 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.57 -0.706 . . . . 0.0 109.935 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.522 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -108.69 -15.78 14.33 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.358 -0.839 . . . . 0.0 109.994 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.468 ' HA ' HD13 ' A' ' 11' ' ' LEU . 66.4 mt -86.39 -34.28 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.464 -0.772 . . . . 0.0 110.513 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.582 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -67.95 -25.02 65.24 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.512 -0.743 . . . . 0.0 109.726 -179.805 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.582 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 12.9 t80 -76.51 -35.19 58.46 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.423 -0.798 . . . . 0.0 109.864 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.522 ' CD1' ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -63.18 -11.18 18.89 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.415 -0.803 . . . . 0.0 109.722 179.38 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -96.22 -51.19 4.5 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-O 121.757 0.789 . . . . 0.0 110.455 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.7 m -85.38 -24.71 27.44 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.537 -0.727 . . . . 0.0 110.702 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 10' ' ' PHE . . . -85.26 14.98 4.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.364 -0.835 . . . . 0.0 110.284 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 14' ' ' ALA . 3.8 ptmt -49.33 -179.59 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.332 -0.855 . . . . 0.0 110.396 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -78.59 155.77 29.46 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.285 -0.884 . . . . 0.0 109.764 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -127.28 -34.92 2.25 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.139 -0.975 . . . . 0.0 110.353 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 119.826 -1.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.495 1.803 0 CA-C-O 121.221 0.534 . . . . 0.0 110.077 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 11.9 p-90 -128.89 24.32 5.68 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.117 -0.989 . . . . 0.0 110.541 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.407 ' O ' ' HG2' ' A' ' 6' ' ' LYS . 3.7 tptt -89.04 34.61 0.79 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.197 -0.94 . . . . 0.0 110.008 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.474 ' O ' HG13 ' A' ' 8' ' ' ILE . 14.5 mt -86.19 2.51 46.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.222 -0.924 . . . . 0.0 110.85 -179.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.91 -21.03 57.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.957 -1.089 . . . . 0.0 110.576 -179.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 3' ' ' LYS . 13.6 pttt -85.54 15.7 4.37 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.411 -0.805 . . . . 0.0 110.12 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.43 -25.37 2.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.327 -0.858 . . . . 0.0 110.731 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 4' ' ' LEU . 41.4 mt -81.76 -23.45 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.304 -0.873 . . . . 0.0 109.72 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.568 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -76.97 -28.21 55.05 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.945 0.879 . . . . 0.0 108.744 179.156 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.568 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -80.57 -15.92 55.46 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.461 0.648 . . . . 0.0 109.662 179.806 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.9 mt -80.84 -7.74 59.52 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.352 -0.843 . . . . 0.0 110.29 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.481 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -111.16 -25.45 9.72 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.868 0.842 . . . . 0.0 109.778 179.553 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.71 -16.74 38.01 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 121.57 0.7 . . . . 0.0 109.54 179.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.47 -19.98 28.79 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.675 -0.641 . . . . 0.0 111.107 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -76.67 166.55 23.22 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.227 -0.921 . . . . 0.0 110.365 -179.559 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.453 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 5.6 pttp -52.44 144.37 13.43 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.229 -0.92 . . . . 0.0 110.325 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -112.77 -55.36 2.53 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.288 -0.882 . . . . 0.0 110.271 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.777 -1.827 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 121.226 0.536 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -139.17 121.54 16.03 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.221 -0.924 . . . . 0.0 110.239 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.25 122.45 4.12 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.195 -0.941 . . . . 0.0 110.523 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.4 mt -84.05 11.05 8.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.272 -0.892 . . . . 0.0 109.803 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.36 -56.15 8.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.486 -0.759 . . . . 0.0 111.01 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.3 -8.94 36.07 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.597 -0.689 . . . . 0.0 110.592 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -96.39 -15.45 21.81 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.222 -0.924 . . . . 0.0 110.085 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 11' ' ' LEU . 63.6 mt -73.87 -63.26 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 CA-C-O 121.862 0.839 . . . . 0.0 109.431 179.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.58 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -47.85 -27.77 2.26 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-O 121.545 0.688 . . . . 0.0 110.469 179.625 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.58 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 40.2 t80 -81.93 -18.48 43.45 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.485 -0.76 . . . . 0.0 109.985 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 8' ' ' ILE . 6.1 mt -86.2 0.63 53.23 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.624 -0.672 . . . . 0.0 109.952 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.41 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 1.5 m-70 -107.91 -31.24 8.08 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-O 121.842 0.83 . . . . 0.0 110.181 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 t -85.89 -42.88 13.71 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-O 121.515 0.674 . . . . 0.0 111.059 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.71 -18.02 27.77 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.465 -0.772 . . . . 0.0 110.083 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.33 -23.43 26.24 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 121.58 0.705 . . . . 0.0 110.487 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 12' ' ' HIS . 29.0 mttm -86.34 -18.77 31.03 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.512 -0.742 . . . . 0.0 110.528 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -145.62 -112.66 0.09 Allowed 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.467 -0.771 . . . . 0.0 110.032 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.278 0 O-C-N 119.575 -1.953 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.4 ' CD ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.196 0.522 . . . . 0.0 110.189 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -82.28 -141.28 0.05 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.175 -0.953 . . . . 0.0 109.958 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.92 125.6 13.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.186 -0.946 . . . . 0.0 110.238 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.4 HD23 ' CD ' ' A' ' 1' ' ' LYS . 1.2 mt -84.38 13.06 5.78 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.207 -0.933 . . . . 0.0 110.172 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.62 -18.23 58.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.252 -0.905 . . . . 0.0 110.353 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -85.54 -3.28 58.82 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.394 -0.816 . . . . 0.0 109.911 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -111.81 -15.07 13.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.353 -0.842 . . . . 0.0 109.918 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.4 ' HA ' ' HB2' ' A' ' 11' ' ' LEU . 22.6 mm -79.79 -41.82 22.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 CA-C-O 121.846 0.831 . . . . 0.0 109.499 179.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.532 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.12 -34.86 75.65 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 121.568 0.699 . . . . 0.0 109.727 179.532 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.532 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -83.4 -21.24 33.08 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.847 0.832 . . . . 0.0 109.109 178.879 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.4 ' HB2' ' HA ' ' A' ' 8' ' ' ILE . 6.1 mt -72.28 -15.7 61.9 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.613 0.721 . . . . 0.0 109.741 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -92.3 -32.73 14.9 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.88 0.848 . . . . 0.0 109.321 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.16 -3.55 58.98 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.77 -0.581 . . . . 0.0 110.187 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.07 -33.52 44.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.376 -0.828 . . . . 0.0 110.278 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -83.2 179.84 7.61 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.569 -0.707 . . . . 0.0 109.669 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -53.67 98.7 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.179 -0.95 . . . . 0.0 110.116 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -113.83 -54.8 2.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.36 -0.837 . . . . 0.0 110.206 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.294 0.568 . . . . 0.0 110.049 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -118.77 10.67 12.46 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.202 -0.936 . . . . 0.0 110.75 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -103.18 -71.27 0.73 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.181 -0.949 . . . . 0.0 110.387 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.445 ' O ' HG13 ' A' ' 8' ' ' ILE . 1.4 mt -57.37 -14.56 4.84 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.575 -0.703 . . . . 0.0 109.969 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.95 -27.84 33.65 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.535 -0.728 . . . . 0.0 110.831 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.76 -12.71 58.45 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.55 -0.719 . . . . 0.0 110.654 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -100.1 -12.63 19.5 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.868 . . . . 0.0 110.021 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 4' ' ' LEU . 71.0 mt -85.96 -26.73 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.324 -0.86 . . . . 0.0 109.858 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.541 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -68.78 -49.57 57.56 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-O 121.84 0.829 . . . . 0.0 108.997 179.289 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.541 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -59.16 -26.07 64.44 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-O 121.788 0.804 . . . . 0.0 109.267 179.594 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.7 mt -86.66 3.33 45.11 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.193 0.521 . . . . 0.0 110.386 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -117.27 -43.89 2.81 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.233 -0.917 . . . . 0.0 110.598 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.33 -22.05 28.67 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-O 121.383 0.611 . . . . 0.0 110.631 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 10' ' ' PHE . . . -85.45 0.91 50.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.317 -0.865 . . . . 0.0 110.471 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -54.22 -18.96 4.41 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.3 -0.875 . . . . 0.0 110.745 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.35 -0.34 55.69 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.254 -0.904 . . . . 0.0 110.577 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -80.33 141.01 35.85 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.093 -1.005 . . . . 0.0 110.255 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.857 -1.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 2' ' ' TRP . 2.7 tttp . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.173 0.511 . . . . 0.0 110.084 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.472 ' CB ' ' O ' ' A' ' 1' ' ' LYS . 3.0 t-105 66.81 -60.32 0.35 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.253 -0.905 . . . . 0.0 110.071 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 1' ' ' LYS . 21.3 mtpt -68.48 -166.26 0.07 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.267 -0.896 . . . . 0.0 110.253 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.2 mt -82.11 8.38 11.0 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.184 -0.948 . . . . 0.0 110.042 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -73.05 -5.5 39.33 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.243 -0.911 . . . . 0.0 110.007 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -85.38 -4.46 59.17 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.392 -0.818 . . . . 0.0 110.246 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.436 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -101.4 -22.16 14.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.307 -0.871 . . . . 0.0 110.257 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.462 HD11 HG22 ' A' ' 8' ' ' ILE . 14.8 mt -85.43 -15.24 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.526 -0.734 . . . . 0.0 109.999 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.586 ' HE3' ' CE2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -74.53 -42.17 59.33 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.513 -0.742 . . . . 0.0 109.774 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.586 ' CE2' ' HE3' ' A' ' 9' ' ' LYS . 1.2 m-85 -76.94 -16.44 59.36 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.803 0.811 . . . . 0.0 109.601 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 7' ' ' LYS . 54.7 mt -86.7 -2.3 58.42 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.709 -0.619 . . . . 0.0 110.407 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.36 -28.96 10.04 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.279 -0.888 . . . . 0.0 109.709 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.6 m -86.08 -26.31 25.37 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-O 121.54 0.686 . . . . 0.0 110.015 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.07 -13.22 61.9 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.569 -0.707 . . . . 0.0 110.26 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 14.3 tttt -73.01 -8.13 54.33 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.541 -0.724 . . . . 0.0 109.904 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -64.28 -167.04 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.531 -0.73 . . . . 0.0 110.47 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.585 ' O ' ' CG ' ' A' ' 17' ' ' PHE . 66.9 t80 -130.47 36.68 3.93 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.392 -0.817 . . . . 0.0 110.008 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.828 -1.795 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.379 0.609 . . . . 0.0 110.094 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.649 ' N ' ' CD1' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -48.87 98.95 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.251 -0.905 . . . . 0.0 110.797 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.03 11.91 1.23 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.189 -0.944 . . . . 0.0 110.521 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.09 1.86 45.93 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.222 -0.924 . . . . 0.0 110.255 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 5' ' ' PHE . 15.6 t80 -50.84 -49.68 58.29 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.284 -0.885 . . . . 0.0 110.214 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -59.71 -14.94 16.31 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-O 121.585 0.707 . . . . 0.0 109.934 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.87 -16.61 23.89 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.508 -0.745 . . . . 0.0 109.994 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.454 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 41.1 mt -70.95 -32.57 48.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 CA-C-O 121.889 0.852 . . . . 0.0 108.919 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.537 ' CD ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -69.0 -47.59 65.15 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.844 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.47 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -65.73 -10.84 40.4 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-O 121.448 0.642 . . . . 0.0 109.384 178.906 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 10.4 mt -82.81 -8.64 59.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.4 -0.812 . . . . 0.0 110.406 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.58 -28.93 9.47 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.879 0.847 . . . . 0.0 109.123 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.32 -13.6 49.11 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.645 0.736 . . . . 0.0 109.391 178.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 10' ' ' PHE . . . -85.22 -19.6 31.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.492 -0.755 . . . . 0.0 110.215 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.498 ' CG ' ' N ' ' A' ' 16' ' ' LYS . 9.3 pttm -57.67 -40.06 78.51 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 121.882 0.848 . . . . 0.0 109.569 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.498 ' N ' ' CG ' ' A' ' 15' ' ' LYS . 40.7 pttt -85.62 143.23 28.56 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -87.99 165.03 15.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.105 -0.997 . . . . 0.0 110.428 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.99 -1.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.109 0.48 . . . . 0.0 110.182 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 15.9 t90 -165.24 -102.31 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.152 -0.967 . . . . 0.0 110.52 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -149.86 15.06 0.84 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.781 -1.199 . . . . 0.0 110.476 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.417 HD12 HD11 ' A' ' 8' ' ' ILE . 1.4 pp -85.26 15.36 4.35 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.171 -0.955 . . . . 0.0 110.158 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -57.41 -27.4 62.34 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.39 -0.819 . . . . 0.0 110.407 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -79.81 -1.05 37.11 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.551 -0.718 . . . . 0.0 109.81 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -101.42 -17.76 16.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.44 -0.787 . . . . 0.0 109.224 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.424 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 29.9 mt -85.74 -39.49 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 CA-C-O 121.861 0.838 . . . . 0.0 109.866 179.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.595 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -57.97 -28.16 64.1 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.246 0.546 . . . . 0.0 110.783 -179.52 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.595 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 85.7 t80 -89.86 -37.26 14.57 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.345 -0.847 . . . . 0.0 109.694 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.4 mt -75.0 -4.66 39.63 Favored 'General case' 0 C--N 1.293 -1.871 0 CA-C-O 121.568 0.699 . . . . 0.0 109.251 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 3.2 m170 -103.0 -30.88 10.5 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-O 121.802 0.81 . . . . 0.0 109.703 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.2 p -85.59 -19.2 31.4 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-O 121.39 0.614 . . . . 0.0 110.569 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.08 -37.91 23.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.394 -0.816 . . . . 0.0 110.146 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -84.46 163.55 19.39 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.599 -0.688 . . . . 0.0 109.738 179.613 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 15' ' ' LYS . 27.3 mtmt -61.2 -144.36 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.148 -0.97 . . . . 0.0 110.233 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -72.2 100.27 2.54 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.161 -0.962 . . . . 0.0 110.191 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.285 0 O-C-N 119.772 -1.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.3 mttm . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.263 0.554 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -133.27 87.58 2.41 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.278 -0.888 . . . . 0.0 109.76 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.07 9.1 6.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.177 -0.952 . . . . 0.0 110.554 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.04 13.2 5.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.117 -0.989 . . . . 0.0 110.169 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -69.36 -24.37 63.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.257 -0.902 . . . . 0.0 110.268 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -70.96 -5.71 33.08 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.418 -0.801 . . . . 0.0 110.474 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.404 ' O ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -109.5 -5.59 15.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.24 -0.913 . . . . 0.0 109.76 179.323 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.438 ' HA ' HD13 ' A' ' 11' ' ' LEU . 39.0 mm -80.44 -49.9 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.288 -0.882 . . . . 0.0 109.318 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.546 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.64 -26.87 68.27 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-O 121.924 0.869 . . . . 0.0 108.74 179.206 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.546 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -75.83 -20.61 58.02 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 121.856 0.836 . . . . 0.0 109.365 179.434 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 8' ' ' ILE . 16.4 mt -85.39 2.76 43.01 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.443 0.64 . . . . 0.0 110.195 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.54 -29.64 8.66 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.304 -0.872 . . . . 0.0 109.027 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.82 -21.18 28.23 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 121.586 0.708 . . . . 0.0 109.511 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.18 -60.15 3.05 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.823 0.821 . . . . 0.0 109.684 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -69.51 -145.46 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.853 -0.53 . . . . 0.0 109.708 179.519 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -47.21 175.1 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.083 -1.011 . . . . 0.0 110.107 179.713 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -66.89 -50.16 63.34 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.168 -0.957 . . . . 0.0 110.134 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.882 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.4 mt . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.236 0.541 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -21.35 62.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.276 -0.89 . . . . 0.0 109.419 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.455 ' HE2' ' CG ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -70.95 -10.9 60.54 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.598 -0.689 . . . . 0.0 109.678 179.501 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.455 ' CG ' ' HE2' ' A' ' 6' ' ' LYS . 3.6 mttp -95.83 -26.17 15.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.514 -0.741 . . . . 0.0 109.932 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.43 ' HA ' HD12 ' A' ' 11' ' ' LEU . 43.1 mm -83.68 -19.16 9.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 CA-C-O 121.695 0.76 . . . . 0.0 109.855 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.619 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -71.07 -37.69 72.47 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-O 121.695 0.76 . . . . 0.0 110.121 179.708 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.619 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -72.17 -27.45 62.58 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 122.02 0.914 . . . . 0.0 108.892 179.745 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 8' ' ' ILE . 8.0 mt -71.41 -23.01 61.79 Favored 'General case' 0 C--N 1.294 -1.814 0 CA-C-O 121.825 0.821 . . . . 0.0 109.187 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -76.78 -31.5 57.06 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.882 0.849 . . . . 0.0 109.352 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -84.16 -11.46 56.54 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-O 121.425 0.631 . . . . 0.0 109.836 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.428 -0.795 . . . . 0.0 109.816 179.683 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.229 0.538 . . . . 0.0 110.116 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.94 -17.9 54.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.246 -0.909 . . . . 0.0 110.78 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -5.89 40.16 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.149 -0.969 . . . . 0.0 109.972 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.8 -10.26 19.26 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.426 -0.796 . . . . 0.0 109.802 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 10.5 mt -85.69 -47.89 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.449 -0.782 . . . . 0.0 109.809 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.549 ' HD3' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.29 -20.46 62.93 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.758 0.789 . . . . 0.0 109.251 179.598 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.549 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -86.4 -12.73 48.37 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.576 0.703 . . . . 0.0 109.659 179.702 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 10.3 mt -83.0 -9.79 59.1 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.578 -0.702 . . . . 0.0 110.334 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -104.65 -32.28 8.98 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.29 -0.881 . . . . 0.0 109.463 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.5 t -86.47 -13.25 46.67 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-O 121.468 0.651 . . . . 0.0 109.773 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 10' ' ' PHE . . . . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.453 -0.78 . . . . 0.0 109.47 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.237 0.542 . . . . 0.0 110.164 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -124.73 -28.74 3.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.041 -1.037 . . . . 0.0 110.87 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.99 -4.62 47.94 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.396 -0.815 . . . . 0.0 110.01 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -100.37 -16.31 17.68 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.4 -0.813 . . . . 0.0 109.743 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.403 HD13 HD12 ' A' ' 11' ' ' LEU . 34.4 mm -86.23 -20.63 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 CA-C-O 121.535 0.684 . . . . 0.0 110.13 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.601 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -67.88 -49.32 62.66 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.935 0.874 . . . . 0.0 109.888 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.601 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -67.45 -24.72 65.66 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-O 121.888 0.851 . . . . 0.0 109.709 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.403 HD12 HD13 ' A' ' 8' ' ' ILE . 24.4 mt -72.82 -13.11 61.23 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.346 0.594 . . . . 0.0 110.448 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.27 -28.22 8.34 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.153 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.69 -25.81 64.97 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.481 -0.762 . . . . 0.0 109.666 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.645 0 CA-C-O 121.556 0.693 . . . . 0.0 110.599 179.724 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.093 0.473 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -90.22 -19.26 24.38 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.058 -1.026 . . . . 0.0 111.037 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.11 1.1 33.2 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.255 -0.903 . . . . 0.0 110.15 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -106.22 -12.43 15.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.318 -0.864 . . . . 0.0 109.529 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.496 ' HA ' HD12 ' A' ' 11' ' ' LEU . 9.1 mt -75.17 -43.33 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 CA-C-O 121.693 0.759 . . . . 0.0 109.479 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.591 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.69 -33.99 74.97 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.876 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -66.08 -20.71 66.25 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.379 0.609 . . . . 0.0 109.941 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 8' ' ' ILE . 32.7 mt -74.11 -6.81 49.86 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.368 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -109.03 -31.68 7.53 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.711 0.767 . . . . 0.0 109.684 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.11 -6.32 59.04 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.66 -0.65 . . . . 0.0 110.146 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.227 -0.921 . . . . 0.0 110.087 -179.761 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.519 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 5.6 mp . . . . . 0 N--CA 1.495 1.809 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -55.95 -45.86 78.74 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.706 -1.246 . . . . 0.0 109.334 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.97 -0.51 21.81 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.407 0.623 . . . . 0.0 109.539 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.702 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -99.72 -8.45 24.28 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.47 -0.769 . . . . 0.0 109.733 179.464 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.3 mt -84.95 -58.93 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 CA-C-O 121.681 0.753 . . . . 0.0 110.54 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.532 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -46.56 -30.68 2.37 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-O 121.379 0.609 . . . . 0.0 111.135 -179.324 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.532 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 9.2 t80 -96.18 -19.14 19.58 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.396 -0.815 . . . . 0.0 110.665 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.702 HD12 ' O ' ' A' ' 7' ' ' LYS . 12.3 mt -83.73 9.3 12.11 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.392 -0.818 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.22 -44.07 2.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.287 -0.883 . . . . 0.0 110.541 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.7 t -85.21 -16.76 39.21 Favored 'General case' 0 C--N 1.292 -1.914 0 O-C-N 121.565 -0.709 . . . . 0.0 110.289 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.607 0 O-C-N 121.462 -0.773 . . . . 0.0 110.393 -179.906 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.515 0.674 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -51.13 -23.37 3.15 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.486 -0.759 . . . . 0.0 109.988 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.484 ' HE2' ' HB2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -75.93 -1.11 23.94 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.608 -0.682 . . . . 0.0 110.015 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.484 ' HB2' ' HE2' ' A' ' 6' ' ' LYS . 4.0 ttmm -107.44 -20.51 13.23 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.275 -0.891 . . . . 0.0 109.771 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.2 mm -85.98 -21.82 7.49 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 121.484 -0.76 . . . . 0.0 110.463 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.598 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -80.48 -36.73 33.03 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.287 -0.883 . . . . 0.0 108.835 179.119 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.966 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 0.4 OUTLIER -69.37 -21.09 63.83 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.677 0.751 . . . . 0.0 109.104 179.636 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 11' ' ' LEU . 14.8 mt -85.5 2.01 46.49 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 119.864 -0.735 . . . . 0.0 109.696 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -132.21 -41.34 1.0 Allowed 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.313 -0.867 . . . . 0.0 109.785 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.1 t -85.79 -27.69 25.01 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.556 0.694 . . . . 0.0 110.323 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.966 ' HB3' ' O ' ' A' ' 10' ' ' PHE . . . . . . . . 0 C--N 1.298 -1.667 0 O-C-N 121.437 -0.789 . . . . 0.0 110.267 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 33.8 mt . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.267 0.556 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -33.13 70.95 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.209 -0.932 . . . . 0.0 110.144 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.451 ' O ' ' HE2' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -66.1 -13.48 60.15 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.499 -0.75 . . . . 0.0 109.694 179.559 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -97.71 -5.93 34.08 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.448 -0.783 . . . . 0.0 109.781 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.3 mm -85.56 -58.27 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.421 -0.799 . . . . 0.0 110.531 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.553 ' HD3' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -53.64 -21.6 7.16 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.515 -0.741 . . . . 0.0 109.945 -179.738 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.553 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 31.2 t80 -88.9 -21.63 23.53 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.795 0.807 . . . . 0.0 109.347 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 11' ' ' LEU . 11.3 mt -90.37 -11.22 41.21 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.534 0.683 . . . . 0.0 109.638 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -91.09 -36.71 13.85 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.787 0.803 . . . . 0.0 109.866 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.47 -44.92 23.37 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 121.622 0.725 . . . . 0.0 110.199 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.851 0 O-C-N 121.765 -0.584 . . . . 0.0 110.438 179.901 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.321 0.582 . . . . 0.0 110.169 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.649 ' HA ' HD12 ' A' ' 8' ' ' ILE . 40.3 t80 -68.46 -9.03 46.04 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.334 -0.854 . . . . 0.0 109.806 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -16.27 60.25 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.421 -0.799 . . . . 0.0 109.356 179.381 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.473 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 1.2 ttmt -93.38 -17.17 23.83 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.462 0.649 . . . . 0.0 109.85 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.902 ' HA ' HD12 ' A' ' 11' ' ' LEU . 59.1 mt -75.27 -31.57 24.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 CA-C-O 121.739 0.78 . . . . 0.0 109.508 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.518 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -72.38 -36.9 68.83 Favored 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 119.33 -0.948 . . . . 0.0 108.557 178.678 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.784 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 48.3 t80 -69.57 -8.01 43.59 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.902 HD12 ' HA ' ' A' ' 8' ' ' ILE . 37.8 mt -88.4 14.09 10.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.429 -0.795 . . . . 0.0 110.053 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -124.02 -49.92 1.83 Allowed 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.89 0.852 . . . . 0.0 109.851 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.2 m -86.09 -19.26 30.49 Favored 'General case' 0 C--N 1.292 -1.914 0 C-N-CA 120.221 -0.591 . . . . 0.0 110.814 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.784 ' HB3' ' O ' ' A' ' 10' ' ' PHE . . . . . . . . 0 N--CA 1.493 1.72 0 O-C-N 121.449 -0.782 . . . . 0.0 111.39 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 121.117 0.484 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.504 ' HA ' HD12 ' A' ' 8' ' ' ILE . 64.2 t80 -61.48 -18.5 59.32 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.157 -0.964 . . . . 0.0 110.023 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.63 -15.4 60.34 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.513 -0.742 . . . . 0.0 109.698 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 0.8 OUTLIER -90.32 -18.98 24.58 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.705 0.764 . . . . 0.0 109.326 179.388 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 5' ' ' PHE . 77.9 mt -71.31 -29.61 36.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 CA-C-O 121.601 0.715 . . . . 0.0 109.479 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.57 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -69.32 -47.33 64.78 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.704 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.57 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -58.42 -23.24 56.81 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.091 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 11' ' ' LEU . 4.5 mt -78.56 -8.6 58.77 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.391 0.615 . . . . 0.0 109.685 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 1.6 m-70 -97.7 -40.46 8.57 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.514 -0.741 . . . . 0.0 109.772 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.63 -26.07 37.95 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-O 121.866 0.841 . . . . 0.0 108.841 178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 10' ' ' PHE . . . . . . . . 0 C--N 1.298 -1.673 0 CA-C-O 121.345 0.593 . . . . 0.0 109.5 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.636 HD23 ' HG3' ' A' ' 7' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.224 0.535 . . . . 0.0 110.121 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -51.97 -20.25 2.26 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.167 -0.958 . . . . 0.0 110.374 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.526 ' HD3' ' HA ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -80.84 -15.9 55.12 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.217 -0.927 . . . . 0.0 109.46 179.618 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.636 ' HG3' HD23 ' A' ' 4' ' ' LEU . 8.4 mmtm -93.25 -8.63 41.68 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.502 0.668 . . . . 0.0 109.407 179.12 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.474 HD13 HD12 ' A' ' 11' ' ' LEU . 29.8 mm -80.85 -31.53 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.401 -0.812 . . . . 0.0 109.322 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.528 ' HD3' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -77.68 -39.6 44.26 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.68 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.583 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.4 t80 -74.0 -16.51 61.06 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.772 0.796 . . . . 0.0 108.895 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.474 HD12 HD13 ' A' ' 8' ' ' ILE . 6.3 mt -78.86 0.82 25.64 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.446 0.641 . . . . 0.0 109.85 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -116.22 -36.47 4.05 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.412 -0.805 . . . . 0.0 110.079 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.74 -37.96 17.4 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-O 121.813 0.816 . . . . 0.0 110.157 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 10' ' ' PHE . . . . . . . . 0 C--N 1.297 -1.696 0 O-C-N 121.645 -0.659 . . . . 0.0 109.878 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.217 0.532 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -66.48 -23.19 66.22 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.364 -0.835 . . . . 0.0 110.033 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.497 ' CE ' ' HD2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -65.25 -9.32 22.94 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.676 -0.64 . . . . 0.0 110.012 179.445 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.497 ' HD2' ' CE ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -94.43 -7.46 41.43 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.422 -0.799 . . . . 0.0 109.783 179.594 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.413 HD13 HG21 ' A' ' 8' ' ' ILE . 3.3 mt -85.13 -41.97 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.355 -0.84 . . . . 0.0 110.135 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.601 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -59.16 -32.71 70.14 Favored 'General case' 0 C--N 1.296 -1.761 0 CA-C-O 121.808 0.813 . . . . 0.0 110.041 -179.742 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.601 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 42.8 t80 -73.66 -20.37 60.58 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-O 121.843 0.83 . . . . 0.0 109.729 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 11' ' ' LEU . 4.1 mt -81.41 -8.87 59.8 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 121.376 0.608 . . . . 0.0 110.455 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.45 -35.77 9.07 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.748 0.785 . . . . 0.0 109.98 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.76 -12.67 57.34 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.524 -0.735 . . . . 0.0 109.787 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 121.788 0.804 . . . . 0.0 110.354 179.535 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.2 mt . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.276 0.56 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -34.96 78.93 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.363 -0.835 . . . . 0.0 110.431 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.482 ' O ' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -73.98 -3.18 27.62 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.57 -0.706 . . . . 0.0 109.935 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.968 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -108.69 -15.78 14.33 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.358 -0.839 . . . . 0.0 109.994 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.4 mt -86.39 -34.28 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.464 -0.772 . . . . 0.0 110.513 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.582 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -67.95 -25.02 65.24 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.512 -0.743 . . . . 0.0 109.726 -179.805 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.749 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 12.9 t80 -76.51 -35.19 58.46 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.423 -0.798 . . . . 0.0 109.864 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.968 HD12 ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -63.18 -11.18 18.89 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.415 -0.803 . . . . 0.0 109.722 179.38 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -96.22 -51.19 4.5 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-O 121.757 0.789 . . . . 0.0 110.455 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.7 m -85.38 -24.71 27.44 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.537 -0.727 . . . . 0.0 110.702 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 10' ' ' PHE . . . . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.364 -0.835 . . . . 0.0 110.284 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.469 ' O ' HG13 ' A' ' 8' ' ' ILE . 14.5 mt . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 120.901 0.381 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.91 -21.03 57.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.957 -1.089 . . . . 0.0 110.576 -179.365 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -85.54 15.7 4.37 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.411 -0.805 . . . . 0.0 110.12 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.43 -25.37 2.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.327 -0.858 . . . . 0.0 110.731 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 4' ' ' LEU . 41.4 mt -81.76 -23.45 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.304 -0.873 . . . . 0.0 109.72 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.568 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -76.97 -28.21 55.05 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.945 0.879 . . . . 0.0 108.744 179.156 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.568 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -80.57 -15.92 55.46 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.461 0.648 . . . . 0.0 109.662 179.806 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.51 ' HA ' HD23 ' A' ' 11' ' ' LEU . 4.9 mt -80.84 -7.74 59.52 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.352 -0.843 . . . . 0.0 110.29 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.16 -25.45 9.72 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.868 0.842 . . . . 0.0 109.778 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.71 -16.74 38.01 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 121.57 0.7 . . . . 0.0 109.54 179.404 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.675 -0.641 . . . . 0.0 111.107 -179.658 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.365 0.602 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.36 -56.15 8.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.486 -0.759 . . . . 0.0 111.01 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.3 -8.94 36.07 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.597 -0.689 . . . . 0.0 110.592 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -96.39 -15.45 21.81 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.222 -0.924 . . . . 0.0 110.085 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 11' ' ' LEU . 63.6 mt -73.87 -63.26 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 CA-C-O 121.862 0.839 . . . . 0.0 109.431 179.306 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.58 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -47.85 -27.77 2.26 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-O 121.545 0.688 . . . . 0.0 110.469 179.625 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.58 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 40.2 t80 -81.93 -18.48 43.45 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.485 -0.76 . . . . 0.0 109.985 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 11' ' ' LEU . 6.1 mt -86.2 0.63 53.23 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.624 -0.672 . . . . 0.0 109.952 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -107.91 -31.24 8.08 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-O 121.842 0.83 . . . . 0.0 110.181 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 t -85.89 -42.88 13.71 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-O 121.515 0.674 . . . . 0.0 111.059 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.834 0 O-C-N 121.465 -0.772 . . . . 0.0 110.083 -179.653 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.247 0.546 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.62 -18.23 58.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.252 -0.905 . . . . 0.0 110.353 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -85.54 -3.28 58.82 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.394 -0.816 . . . . 0.0 109.911 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -111.81 -15.07 13.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.353 -0.842 . . . . 0.0 109.918 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.463 ' HA ' ' HB2' ' A' ' 11' ' ' LEU . 22.6 mm -79.79 -41.82 22.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 CA-C-O 121.846 0.831 . . . . 0.0 109.499 179.395 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.532 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.12 -34.86 75.65 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 121.568 0.699 . . . . 0.0 109.727 179.532 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.532 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -83.4 -21.24 33.08 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.847 0.832 . . . . 0.0 109.109 178.879 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.463 ' HB2' ' HA ' ' A' ' 8' ' ' ILE . 6.1 mt -72.28 -15.7 61.9 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.613 0.721 . . . . 0.0 109.741 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -92.3 -32.73 14.9 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.88 0.848 . . . . 0.0 109.321 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.16 -3.55 58.98 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.77 -0.581 . . . . 0.0 110.187 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.376 -0.828 . . . . 0.0 110.278 -179.782 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.444 ' O ' HG13 ' A' ' 8' ' ' ILE . 1.4 mt . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.497 0.665 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.95 -27.84 33.65 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.535 -0.728 . . . . 0.0 110.831 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.76 -12.71 58.45 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.55 -0.719 . . . . 0.0 110.654 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -100.1 -12.63 19.5 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.868 . . . . 0.0 110.021 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 4' ' ' LEU . 71.0 mt -85.96 -26.73 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.324 -0.86 . . . . 0.0 109.858 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.547 ' HD2' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -68.78 -49.57 57.56 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-O 121.84 0.829 . . . . 0.0 108.997 179.289 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.647 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -59.16 -26.07 64.44 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-O 121.788 0.804 . . . . 0.0 109.267 179.594 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.7 mt -86.66 3.33 45.11 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.193 0.521 . . . . 0.0 110.386 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -117.27 -43.89 2.81 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.233 -0.917 . . . . 0.0 110.598 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.33 -22.05 28.67 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-O 121.383 0.611 . . . . 0.0 110.631 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 10' ' ' PHE . . . . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.317 -0.865 . . . . 0.0 110.471 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.2 mt . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.275 0.559 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -73.05 -5.5 39.33 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.243 -0.911 . . . . 0.0 110.007 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -85.38 -4.46 59.17 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.392 -0.818 . . . . 0.0 110.246 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -101.4 -22.16 14.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.307 -0.871 . . . . 0.0 110.257 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.8 mt -85.43 -15.24 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.526 -0.734 . . . . 0.0 109.999 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.569 ' HE3' ' CE2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -74.53 -42.17 59.33 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.513 -0.742 . . . . 0.0 109.774 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.569 ' CE2' ' HE3' ' A' ' 9' ' ' LYS . 1.2 m-85 -76.94 -16.44 59.36 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.803 0.811 . . . . 0.0 109.601 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 11' ' ' LEU . 54.7 mt -86.7 -2.3 58.42 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.709 -0.619 . . . . 0.0 110.407 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.36 -28.96 10.04 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.279 -0.888 . . . . 0.0 109.709 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.6 m -86.08 -26.31 25.37 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-O 121.54 0.686 . . . . 0.0 110.015 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.713 0 O-C-N 121.569 -0.707 . . . . 0.0 110.26 179.999 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 121.266 0.555 . . . . 0.0 110.255 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 5' ' ' PHE . 15.6 t80 -50.84 -49.68 58.29 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.284 -0.885 . . . . 0.0 110.214 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -59.71 -14.94 16.31 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-O 121.585 0.707 . . . . 0.0 109.934 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.87 -16.61 23.89 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.508 -0.745 . . . . 0.0 109.994 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.498 ' HA ' HD12 ' A' ' 11' ' ' LEU . 41.1 mt -70.95 -32.57 48.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 CA-C-O 121.889 0.852 . . . . 0.0 108.919 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.537 ' CD ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -69.0 -47.59 65.15 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.844 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -10.84 40.4 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-O 121.448 0.642 . . . . 0.0 109.384 178.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 8' ' ' ILE . 10.4 mt -82.81 -8.64 59.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.4 -0.812 . . . . 0.0 110.406 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.58 -28.93 9.47 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.879 0.847 . . . . 0.0 109.123 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.32 -13.6 49.11 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.645 0.736 . . . . 0.0 109.391 178.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.492 -0.755 . . . . 0.0 110.215 179.824 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.22 0.533 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.693 ' HA ' HD12 ' A' ' 8' ' ' ILE . 1.6 p90 -57.41 -27.4 62.34 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.39 -0.819 . . . . 0.0 110.407 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -79.81 -1.05 37.11 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.551 -0.718 . . . . 0.0 109.81 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -101.42 -17.76 16.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.44 -0.787 . . . . 0.0 109.224 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.693 HD12 ' HA ' ' A' ' 5' ' ' PHE . 29.9 mt -85.74 -39.49 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 CA-C-O 121.861 0.838 . . . . 0.0 109.866 179.504 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.595 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -57.97 -28.16 64.1 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.246 0.546 . . . . 0.0 110.783 -179.52 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.595 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 85.7 t80 -89.86 -37.26 14.57 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.345 -0.847 . . . . 0.0 109.694 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.4 mt -75.0 -4.66 39.63 Favored 'General case' 0 C--N 1.293 -1.871 0 CA-C-O 121.568 0.699 . . . . 0.0 109.251 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 3.2 m170 -103.0 -30.88 10.5 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-O 121.802 0.81 . . . . 0.0 109.703 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.2 p -85.59 -19.2 31.4 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-O 121.39 0.614 . . . . 0.0 110.569 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.394 -0.816 . . . . 0.0 110.146 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.413 HD12 HD11 ' A' ' 8' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.28 0.562 . . . . 0.0 110.169 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -69.36 -24.37 63.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.257 -0.902 . . . . 0.0 110.268 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -70.96 -5.71 33.08 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.418 -0.801 . . . . 0.0 110.474 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.455 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -109.5 -5.59 15.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.24 -0.913 . . . . 0.0 109.76 179.323 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.425 ' HA ' HD12 ' A' ' 11' ' ' LEU . 39.0 mm -80.44 -49.9 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.288 -0.882 . . . . 0.0 109.318 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.546 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.64 -26.87 68.27 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-O 121.924 0.869 . . . . 0.0 108.74 179.206 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.546 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -75.83 -20.61 58.02 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 121.856 0.836 . . . . 0.0 109.365 179.434 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 7' ' ' LYS . 16.4 mt -85.39 2.76 43.01 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.443 0.64 . . . . 0.0 110.195 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.54 -29.64 8.66 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.304 -0.872 . . . . 0.0 109.027 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.82 -21.18 28.23 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 121.586 0.708 . . . . 0.0 109.511 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.823 0.821 . . . . 0.0 109.684 179.613 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.426 ' CG ' ' N ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.194 0.521 . . . . 0.0 110.285 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.426 ' N ' ' CG ' ' A' ' 1' ' ' LYS . 1.1 t90 -161.63 -158.59 0.57 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.187 -0.946 . . . . 0.0 110.164 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.7 pttm -163.9 114.08 1.28 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.228 -0.92 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.4 mt -70.71 -4.08 21.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.111 -0.993 . . . . 0.0 110.253 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -21.35 62.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.276 -0.89 . . . . 0.0 109.419 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.455 ' HE2' ' CG ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -70.95 -10.9 60.54 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.598 -0.689 . . . . 0.0 109.678 179.501 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.455 ' CG ' ' HE2' ' A' ' 6' ' ' LYS . 3.6 mttp -95.83 -26.17 15.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.514 -0.741 . . . . 0.0 109.932 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.43 ' HA ' HD12 ' A' ' 11' ' ' LEU . 43.1 mm -83.68 -19.16 9.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 CA-C-O 121.695 0.76 . . . . 0.0 109.855 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.619 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -71.07 -37.69 72.47 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-O 121.695 0.76 . . . . 0.0 110.121 179.708 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.619 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -72.17 -27.45 62.58 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 122.02 0.914 . . . . 0.0 108.892 179.745 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 8' ' ' ILE . 8.0 mt -71.41 -23.01 61.79 Favored 'General case' 0 C--N 1.294 -1.814 0 CA-C-O 121.825 0.821 . . . . 0.0 109.187 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -76.78 -31.5 57.06 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.882 0.849 . . . . 0.0 109.352 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -84.16 -11.46 56.54 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-O 121.425 0.631 . . . . 0.0 109.836 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.54 -16.18 58.82 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.428 -0.795 . . . . 0.0 109.816 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -77.38 3.4 13.31 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.641 -0.662 . . . . 0.0 110.225 179.802 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 15' ' ' LYS . 5.9 mmtt -40.33 136.79 1.18 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.437 -0.79 . . . . 0.0 110.862 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -87.96 77.6 8.43 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.43 -0.794 . . . . 0.0 109.974 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.291 0 O-C-N 119.822 -1.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.367 0.604 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER 46.46 -161.44 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.301 -0.874 . . . . 0.0 110.018 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.23 94.61 5.25 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.205 -0.935 . . . . 0.0 110.439 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.57 14.54 5.51 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.246 -0.909 . . . . 0.0 110.116 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.94 -17.9 54.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.246 -0.909 . . . . 0.0 110.78 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -5.89 40.16 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.149 -0.969 . . . . 0.0 109.972 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.8 -10.26 19.26 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.426 -0.796 . . . . 0.0 109.802 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 10.5 mt -85.69 -47.89 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.449 -0.782 . . . . 0.0 109.809 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.549 ' HD3' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.29 -20.46 62.93 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.758 0.789 . . . . 0.0 109.251 179.598 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.549 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -86.4 -12.73 48.37 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.576 0.703 . . . . 0.0 109.659 179.702 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.479 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 10.3 mt -83.0 -9.79 59.1 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.578 -0.702 . . . . 0.0 110.334 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -104.65 -32.28 8.98 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.29 -0.881 . . . . 0.0 109.463 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.415 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 3.5 t -86.47 -13.25 46.67 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-O 121.468 0.651 . . . . 0.0 109.773 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 10' ' ' PHE . . . -81.61 -14.03 57.26 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.453 -0.78 . . . . 0.0 109.47 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.479 ' HD2' ' O ' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -68.0 -9.99 49.99 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 121.429 0.633 . . . . 0.0 109.763 179.522 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 13' ' ' SER . 19.8 mttt -53.92 132.61 42.32 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.483 -0.761 . . . . 0.0 110.078 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -69.46 -44.41 71.29 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.252 -0.905 . . . . 0.0 110.24 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.897 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 121.313 0.578 . . . . 0.0 110.069 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -157.06 152.08 26.04 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.259 -0.901 . . . . 0.0 110.264 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.443 ' HE2' ' HE2' ' A' ' 6' ' ' LYS . 12.8 mtpt -103.66 0.45 30.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.2 -0.937 . . . . 0.0 110.288 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.61 14.85 5.15 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.217 -0.927 . . . . 0.0 110.164 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -124.73 -28.74 3.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.041 -1.037 . . . . 0.0 110.87 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.443 ' HE2' ' HE2' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -77.99 -4.62 47.94 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.396 -0.815 . . . . 0.0 110.01 179.821 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -100.37 -16.31 17.68 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.4 -0.813 . . . . 0.0 109.743 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.403 HD13 HD12 ' A' ' 11' ' ' LEU . 34.4 mm -86.23 -20.63 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 CA-C-O 121.535 0.684 . . . . 0.0 110.13 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.601 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -67.88 -49.32 62.66 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.935 0.874 . . . . 0.0 109.888 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.601 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -67.45 -24.72 65.66 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-O 121.888 0.851 . . . . 0.0 109.709 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.403 HD12 HD13 ' A' ' 8' ' ' ILE . 24.4 mt -72.82 -13.11 61.23 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.346 0.594 . . . . 0.0 110.448 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.476 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -111.27 -28.22 8.34 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.153 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.69 -25.81 64.97 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.481 -0.762 . . . . 0.0 109.666 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.31 -35.93 19.59 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.556 0.693 . . . . 0.0 110.599 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.77 -38.18 33.76 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.562 0.696 . . . . 0.0 110.351 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 1.0 OUTLIER -85.52 131.07 34.43 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.677 -0.639 . . . . 0.0 110.082 179.766 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -45.47 138.43 4.33 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.21 -0.932 . . . . 0.0 110.075 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 119.798 -1.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.414 ' HB3' ' HE3' ' A' ' 1' ' ' LYS . 11.1 mtpp . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.137 0.494 . . . . 0.0 110.088 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -97.47 94.51 7.07 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.272 -0.892 . . . . 0.0 110.082 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -160.27 76.63 0.61 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.27 -0.894 . . . . 0.0 111.002 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.36 5.33 31.23 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.255 -0.903 . . . . 0.0 110.212 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -90.22 -19.26 24.38 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.058 -1.026 . . . . 0.0 111.037 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.11 1.1 33.2 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.255 -0.903 . . . . 0.0 110.15 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -106.22 -12.43 15.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.318 -0.864 . . . . 0.0 109.529 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.496 ' HA ' HD12 ' A' ' 11' ' ' LEU . 9.1 mt -75.17 -43.33 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 CA-C-O 121.693 0.759 . . . . 0.0 109.479 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.591 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.69 -33.99 74.97 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.876 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -66.08 -20.71 66.25 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.379 0.609 . . . . 0.0 109.941 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 8' ' ' ILE . 32.7 mt -74.11 -6.81 49.86 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.368 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -109.03 -31.68 7.53 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.711 0.767 . . . . 0.0 109.684 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.11 -6.32 59.04 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.66 -0.65 . . . . 0.0 110.146 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.452 ' HB3' ' HD2' ' A' ' 15' ' ' LYS . . . -77.62 -42.21 35.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.227 -0.921 . . . . 0.0 110.087 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' HD2' ' HB3' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -85.04 -104.69 0.05 Allowed 'General case' 0 C--N 1.293 -1.877 0 O-C-N 121.671 -0.643 . . . . 0.0 109.625 179.518 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' A' ' 15' ' ' LYS . 9.3 mttm -56.72 -162.14 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.971 -1.081 . . . . 0.0 110.039 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -79.99 -52.3 8.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.272 -0.892 . . . . 0.0 110.207 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 119.905 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.171 0.51 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.496 ' CG ' ' N ' ' A' ' 3' ' ' LYS . 30.2 t-105 -113.19 -92.01 0.49 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.212 -0.93 . . . . 0.0 110.486 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.627 ' HB3' HD12 ' A' ' 4' ' ' LEU . 2.2 mmtp -140.34 -100.88 0.15 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.114 -0.991 . . . . 0.0 111.218 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.627 HD12 ' HB3' ' A' ' 3' ' ' LYS . 5.6 mp -85.32 3.8 38.04 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.215 -0.928 . . . . 0.0 111.879 -178.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -55.95 -45.86 78.74 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.706 -1.246 . . . . 0.0 109.334 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.97 -0.51 21.81 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.407 0.623 . . . . 0.0 109.539 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.702 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -99.72 -8.45 24.28 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.47 -0.769 . . . . 0.0 109.733 179.464 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.3 mt -84.95 -58.93 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 CA-C-O 121.681 0.753 . . . . 0.0 110.54 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.532 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -46.56 -30.68 2.37 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-O 121.379 0.609 . . . . 0.0 111.135 -179.324 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.532 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 9.2 t80 -96.18 -19.14 19.58 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.396 -0.815 . . . . 0.0 110.665 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.702 HD12 ' O ' ' A' ' 7' ' ' LYS . 12.3 mt -83.73 9.3 12.11 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.392 -0.818 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.22 -44.07 2.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.287 -0.883 . . . . 0.0 110.541 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.7 t -85.21 -16.76 39.21 Favored 'General case' 0 C--N 1.292 -1.914 0 O-C-N 121.565 -0.709 . . . . 0.0 110.289 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.67 -30.61 23.07 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.462 -0.773 . . . . 0.0 110.393 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -85.84 144.56 27.65 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.614 -0.679 . . . . 0.0 110.572 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -48.27 145.36 3.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.325 -0.859 . . . . 0.0 109.862 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -127.33 72.18 1.37 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.207 -0.933 . . . . 0.0 110.236 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.814 -1.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.321 0.581 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -109.23 -69.16 0.87 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.22 -0.925 . . . . 0.0 109.653 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.509 ' O ' ' HG2' ' A' ' 6' ' ' LYS . 1.2 mmtt -145.11 -165.5 2.18 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.442 -0.786 . . . . 0.0 109.84 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.6 -13.26 13.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.236 -0.915 . . . . 0.0 109.864 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -51.13 -23.37 3.15 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.486 -0.759 . . . . 0.0 109.988 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -75.93 -1.11 23.94 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.608 -0.682 . . . . 0.0 110.015 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.484 ' HB2' ' HE2' ' A' ' 6' ' ' LYS . 4.0 ttmm -107.44 -20.51 13.23 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.275 -0.891 . . . . 0.0 109.771 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.2 mm -85.98 -21.82 7.49 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 121.484 -0.76 . . . . 0.0 110.463 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.598 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -80.48 -36.73 33.03 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.287 -0.883 . . . . 0.0 108.835 179.119 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.966 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 0.4 OUTLIER -69.37 -21.09 63.83 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.677 0.751 . . . . 0.0 109.104 179.636 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.454 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 14.8 mt -85.5 2.01 46.49 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 119.864 -0.735 . . . . 0.0 109.696 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -132.21 -41.34 1.0 Allowed 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.313 -0.867 . . . . 0.0 109.785 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.1 t -85.79 -27.69 25.01 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.556 0.694 . . . . 0.0 110.323 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.966 ' HB3' ' O ' ' A' ' 10' ' ' PHE . . . -86.03 -10.38 55.13 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.437 -0.789 . . . . 0.0 110.267 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.454 ' HD2' ' O ' ' A' ' 11' ' ' LEU . 20.7 mttp -64.4 -98.69 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.444 -0.785 . . . . 0.0 110.108 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -82.66 165.46 19.98 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.125 -0.985 . . . . 0.0 110.528 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -81.98 102.81 11.19 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.348 -0.845 . . . . 0.0 110.162 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.988 -1.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 6' ' ' LYS . 6.0 ttmt . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.378 0.609 . . . . 0.0 110.245 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.457 ' CD1' ' HB2' ' A' ' 3' ' ' LYS . 60.3 t-105 -158.1 -92.57 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.367 -0.833 . . . . 0.0 109.863 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.457 ' HB2' ' CD1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -90.39 -171.89 3.25 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.139 -0.975 . . . . 0.0 109.772 179.506 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 33.8 mt -75.97 1.64 14.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.204 -0.935 . . . . 0.0 109.851 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -33.13 70.95 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.209 -0.932 . . . . 0.0 110.144 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.451 ' O ' ' HE2' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -66.1 -13.48 60.15 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.499 -0.75 . . . . 0.0 109.694 179.559 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -97.71 -5.93 34.08 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.448 -0.783 . . . . 0.0 109.781 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.3 mm -85.56 -58.27 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.421 -0.799 . . . . 0.0 110.531 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.553 ' HD3' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -53.64 -21.6 7.16 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.515 -0.741 . . . . 0.0 109.945 -179.738 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.553 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 31.2 t80 -88.9 -21.63 23.53 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.795 0.807 . . . . 0.0 109.347 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 11' ' ' LEU . 11.3 mt -90.37 -11.22 41.21 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.534 0.683 . . . . 0.0 109.638 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -91.09 -36.71 13.85 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.787 0.803 . . . . 0.0 109.866 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.47 -44.92 23.37 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 121.622 0.725 . . . . 0.0 110.199 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.76 24.91 1.16 Allowed 'General case' 0 C--N 1.293 -1.851 0 O-C-N 121.765 -0.584 . . . . 0.0 110.438 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.59 158.7 0.42 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.171 -0.955 . . . . 0.0 110.281 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -84.86 101.28 12.17 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.344 -0.848 . . . . 0.0 109.901 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -87.72 -21.66 25.06 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.323 -0.86 . . . . 0.0 109.925 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.392 0 O-C-N 119.84 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.195 0.522 . . . . 0.0 110.09 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.479 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 20.6 t-105 -99.67 3.1 44.98 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.247 -0.908 . . . . 0.0 110.131 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.61 137.88 23.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.3 -0.875 . . . . 0.0 110.117 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.472 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.5 OUTLIER -73.01 -5.5 39.22 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.364 -0.835 . . . . 0.0 110.169 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.649 ' HA ' HD12 ' A' ' 8' ' ' ILE . 40.3 t80 -68.46 -9.03 46.04 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.334 -0.854 . . . . 0.0 109.806 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -16.27 60.25 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.421 -0.799 . . . . 0.0 109.356 179.381 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.473 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 1.2 ttmt -93.38 -17.17 23.83 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.462 0.649 . . . . 0.0 109.85 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.902 ' HA ' HD12 ' A' ' 11' ' ' LEU . 59.1 mt -75.27 -31.57 24.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 CA-C-O 121.739 0.78 . . . . 0.0 109.508 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.518 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -72.38 -36.9 68.83 Favored 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 119.33 -0.948 . . . . 0.0 108.557 178.678 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.784 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 48.3 t80 -69.57 -8.01 43.59 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.902 HD12 ' HA ' ' A' ' 8' ' ' ILE . 37.8 mt -88.4 14.09 10.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.429 -0.795 . . . . 0.0 110.053 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -124.02 -49.92 1.83 Allowed 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.89 0.852 . . . . 0.0 109.851 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.2 m -86.09 -19.26 30.49 Favored 'General case' 0 C--N 1.292 -1.914 0 C-N-CA 120.221 -0.591 . . . . 0.0 110.814 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.784 ' HB3' ' O ' ' A' ' 10' ' ' PHE . . . -85.4 1.65 47.75 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.449 -0.782 . . . . 0.0 111.39 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.505 ' HG3' ' N ' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -61.94 -157.12 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.985 -1.072 . . . . 0.0 110.221 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.505 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -83.09 48.48 1.38 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.225 -0.922 . . . . 0.0 110.822 -179.625 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -144.37 169.48 17.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.182 -0.949 . . . . 0.0 109.93 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.402 0 O-C-N 119.908 -1.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 2' ' ' TRP . 14.1 mtpp . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.192 0.52 . . . . 0.0 110.08 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.442 ' CB ' ' O ' ' A' ' 1' ' ' LYS . 0.7 OUTLIER 63.88 -144.4 0.31 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.306 -0.871 . . . . 0.0 109.716 -179.59 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -140.08 -154.09 0.5 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.132 -0.98 . . . . 0.0 110.077 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.68 10.24 11.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.22 -0.925 . . . . 0.0 110.29 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.504 ' HA ' HD12 ' A' ' 8' ' ' ILE . 64.2 t80 -61.48 -18.5 59.32 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.157 -0.964 . . . . 0.0 110.023 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.63 -15.4 60.34 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.513 -0.742 . . . . 0.0 109.698 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 0.8 OUTLIER -90.32 -18.98 24.58 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.705 0.764 . . . . 0.0 109.326 179.388 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 5' ' ' PHE . 77.9 mt -71.31 -29.61 36.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 CA-C-O 121.601 0.715 . . . . 0.0 109.479 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.57 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -69.32 -47.33 64.78 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.704 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.57 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -58.42 -23.24 56.81 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.091 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 11' ' ' LEU . 4.5 mt -78.56 -8.6 58.77 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.391 0.615 . . . . 0.0 109.685 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 1.6 m-70 -97.7 -40.46 8.57 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.514 -0.741 . . . . 0.0 109.772 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.63 -26.07 37.95 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-O 121.866 0.841 . . . . 0.0 108.841 178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 10' ' ' PHE . . . -85.8 11.89 10.23 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-O 121.345 0.593 . . . . 0.0 109.5 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.28 143.26 0.64 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.396 -0.815 . . . . 0.0 110.579 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 17' ' ' PHE . 3.2 mtpt -70.45 -159.02 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.341 -0.849 . . . . 0.0 109.897 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.482 ' CG ' ' N ' ' A' ' 18' ' ' NH2 . 0.3 OUTLIER -57.86 -152.77 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.184 -0.947 . . . . 0.0 110.575 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . 0.482 ' N ' ' CG ' ' A' ' 17' ' ' PHE . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.822 -1.799 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.409 0.624 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.469 ' CE3' ' HA ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -81.15 -154.74 0.11 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.277 -0.889 . . . . 0.0 110.2 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -71.57 -107.24 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.142 -0.974 . . . . 0.0 110.081 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.636 HD23 ' HG3' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -79.67 8.1 7.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.927 -1.108 . . . . 0.0 110.121 179.62 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -51.97 -20.25 2.26 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.167 -0.958 . . . . 0.0 110.374 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.526 ' HD3' ' HA ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -80.84 -15.9 55.12 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.217 -0.927 . . . . 0.0 109.46 179.618 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.636 ' HG3' HD23 ' A' ' 4' ' ' LEU . 8.4 mmtm -93.25 -8.63 41.68 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.502 0.668 . . . . 0.0 109.407 179.12 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.474 HD13 HD12 ' A' ' 11' ' ' LEU . 29.8 mm -80.85 -31.53 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.401 -0.812 . . . . 0.0 109.322 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.528 ' HD3' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -77.68 -39.6 44.26 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.68 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.583 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.4 t80 -74.0 -16.51 61.06 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.772 0.796 . . . . 0.0 108.895 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.474 HD12 HD13 ' A' ' 8' ' ' ILE . 6.3 mt -78.86 0.82 25.64 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.446 0.641 . . . . 0.0 109.85 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.471 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -116.22 -36.47 4.05 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.412 -0.805 . . . . 0.0 110.079 -179.645 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.74 -37.96 17.4 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-O 121.813 0.816 . . . . 0.0 110.157 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 10' ' ' PHE . . . -85.46 15.03 4.78 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.645 -0.659 . . . . 0.0 109.878 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -54.01 170.67 0.12 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.28 -0.888 . . . . 0.0 110.296 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -80.63 -177.79 6.44 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.299 -0.876 . . . . 0.0 110.176 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.544 ' O ' ' CG ' ' A' ' 17' ' ' PHE . 55.5 t80 -103.49 7.55 37.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.146 -0.971 . . . . 0.0 110.301 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.893 -1.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.053 0.454 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -82.12 -152.87 0.11 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.097 -1.002 . . . . 0.0 109.935 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' ' 6' ' ' LYS . 3.5 tttt -157.92 96.27 1.46 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.199 -0.938 . . . . 0.0 109.93 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.551 ' H ' HD12 ' A' ' 4' ' ' LEU . 1.1 mp -78.94 3.91 15.72 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.492 -0.755 . . . . 0.0 109.976 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -66.48 -23.19 66.22 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.364 -0.835 . . . . 0.0 110.033 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.497 ' CE ' ' HD2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -65.25 -9.32 22.94 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.676 -0.64 . . . . 0.0 110.012 179.445 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.497 ' HD2' ' CE ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -94.43 -7.46 41.43 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.422 -0.799 . . . . 0.0 109.783 179.594 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.413 HD13 HG21 ' A' ' 8' ' ' ILE . 3.3 mt -85.13 -41.97 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.355 -0.84 . . . . 0.0 110.135 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.601 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -59.16 -32.71 70.14 Favored 'General case' 0 C--N 1.296 -1.761 0 CA-C-O 121.808 0.813 . . . . 0.0 110.041 -179.742 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.601 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 42.8 t80 -73.66 -20.37 60.58 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-O 121.843 0.83 . . . . 0.0 109.729 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 11' ' ' LEU . 4.1 mt -81.41 -8.87 59.8 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 121.376 0.608 . . . . 0.0 110.455 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.524 ' O ' ' HB3' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -101.45 -35.77 9.07 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.748 0.785 . . . . 0.0 109.98 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.76 -12.67 57.34 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.524 -0.735 . . . . 0.0 109.787 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 15' ' ' LYS . . . -65.79 -60.19 3.13 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-O 121.788 0.804 . . . . 0.0 110.354 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -55.67 -162.26 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.815 0 CA-C-O 121.382 0.61 . . . . 0.0 110.969 -179.547 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.41 -5.69 20.47 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.465 -0.772 . . . . 0.0 110.881 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.524 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 1.8 t80 -83.76 60.35 5.71 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.324 -0.86 . . . . 0.0 110.298 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.936 -1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.16 0.505 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.426 ' O ' ' O ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER 58.26 161.04 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.219 -0.925 . . . . 0.0 109.761 -179.791 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.44 96.6 2.8 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.169 -0.957 . . . . 0.0 110.405 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.2 mt -83.74 6.23 21.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.405 -0.809 . . . . 0.0 109.87 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -34.96 78.93 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.363 -0.835 . . . . 0.0 110.431 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.482 ' O ' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -73.98 -3.18 27.62 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.57 -0.706 . . . . 0.0 109.935 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.968 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -108.69 -15.78 14.33 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.358 -0.839 . . . . 0.0 109.994 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.4 mt -86.39 -34.28 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.464 -0.772 . . . . 0.0 110.513 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.582 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -67.95 -25.02 65.24 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.512 -0.743 . . . . 0.0 109.726 -179.805 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.749 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 12.9 t80 -76.51 -35.19 58.46 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.423 -0.798 . . . . 0.0 109.864 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.968 HD12 ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -63.18 -11.18 18.89 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.415 -0.803 . . . . 0.0 109.722 179.38 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -96.22 -51.19 4.5 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-O 121.757 0.789 . . . . 0.0 110.455 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.7 m -85.38 -24.71 27.44 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.537 -0.727 . . . . 0.0 110.702 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 10' ' ' PHE . . . -85.26 14.98 4.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.364 -0.835 . . . . 0.0 110.284 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 14' ' ' ALA . 3.8 ptmt -49.33 -179.59 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.332 -0.855 . . . . 0.0 110.396 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -78.59 155.77 29.46 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.285 -0.884 . . . . 0.0 109.764 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -127.28 -34.92 2.25 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.139 -0.975 . . . . 0.0 110.353 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 119.826 -1.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.495 1.803 0 CA-C-O 121.221 0.534 . . . . 0.0 110.077 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 11.9 p-90 -128.89 24.32 5.68 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.117 -0.989 . . . . 0.0 110.541 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 6' ' ' LYS . 3.7 tptt -89.04 34.61 0.79 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.197 -0.94 . . . . 0.0 110.008 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.469 ' O ' HG13 ' A' ' 8' ' ' ILE . 14.5 mt -86.19 2.51 46.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.222 -0.924 . . . . 0.0 110.85 -179.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.91 -21.03 57.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.957 -1.089 . . . . 0.0 110.576 -179.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 3' ' ' LYS . 13.6 pttt -85.54 15.7 4.37 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.411 -0.805 . . . . 0.0 110.12 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.43 -25.37 2.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.327 -0.858 . . . . 0.0 110.731 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 4' ' ' LEU . 41.4 mt -81.76 -23.45 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.304 -0.873 . . . . 0.0 109.72 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.568 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -76.97 -28.21 55.05 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.945 0.879 . . . . 0.0 108.744 179.156 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.568 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -80.57 -15.92 55.46 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.461 0.648 . . . . 0.0 109.662 179.806 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.51 ' HA ' HD23 ' A' ' 11' ' ' LEU . 4.9 mt -80.84 -7.74 59.52 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.352 -0.843 . . . . 0.0 110.29 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.492 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -111.16 -25.45 9.72 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.868 0.842 . . . . 0.0 109.778 179.553 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.71 -16.74 38.01 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 121.57 0.7 . . . . 0.0 109.54 179.404 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.47 -19.98 28.79 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.675 -0.641 . . . . 0.0 111.107 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -76.67 166.55 23.22 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.227 -0.921 . . . . 0.0 110.365 -179.559 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 5.6 pttp -52.44 144.37 13.43 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.229 -0.92 . . . . 0.0 110.325 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -112.77 -55.36 2.53 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.288 -0.882 . . . . 0.0 110.271 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.777 -1.827 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 121.226 0.536 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -139.17 121.54 16.03 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.221 -0.924 . . . . 0.0 110.239 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.25 122.45 4.12 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.195 -0.941 . . . . 0.0 110.523 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.4 mt -84.05 11.05 8.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.272 -0.892 . . . . 0.0 109.803 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.36 -56.15 8.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.486 -0.759 . . . . 0.0 111.01 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.3 -8.94 36.07 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.597 -0.689 . . . . 0.0 110.592 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -96.39 -15.45 21.81 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.222 -0.924 . . . . 0.0 110.085 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 11' ' ' LEU . 63.6 mt -73.87 -63.26 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 CA-C-O 121.862 0.839 . . . . 0.0 109.431 179.306 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.58 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -47.85 -27.77 2.26 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-O 121.545 0.688 . . . . 0.0 110.469 179.625 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.58 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 40.2 t80 -81.93 -18.48 43.45 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.485 -0.76 . . . . 0.0 109.985 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 11' ' ' LEU . 6.1 mt -86.2 0.63 53.23 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.624 -0.672 . . . . 0.0 109.952 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.409 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 1.5 m-70 -107.91 -31.24 8.08 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-O 121.842 0.83 . . . . 0.0 110.181 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 t -85.89 -42.88 13.71 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-O 121.515 0.674 . . . . 0.0 111.059 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.71 -18.02 27.77 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.465 -0.772 . . . . 0.0 110.083 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.33 -23.43 26.24 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 121.58 0.705 . . . . 0.0 110.487 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 12' ' ' HIS . 29.0 mttm -86.34 -18.77 31.03 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.512 -0.742 . . . . 0.0 110.528 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -145.62 -112.66 0.09 Allowed 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.467 -0.771 . . . . 0.0 110.032 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.278 0 O-C-N 119.575 -1.953 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.196 0.522 . . . . 0.0 110.189 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -82.28 -141.28 0.05 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.175 -0.953 . . . . 0.0 109.958 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.92 125.6 13.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.186 -0.946 . . . . 0.0 110.238 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mt -84.38 13.06 5.78 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.207 -0.933 . . . . 0.0 110.172 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.62 -18.23 58.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.252 -0.905 . . . . 0.0 110.353 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -85.54 -3.28 58.82 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.394 -0.816 . . . . 0.0 109.911 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -111.81 -15.07 13.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.353 -0.842 . . . . 0.0 109.918 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.463 ' HA ' ' HB2' ' A' ' 11' ' ' LEU . 22.6 mm -79.79 -41.82 22.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 CA-C-O 121.846 0.831 . . . . 0.0 109.499 179.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.532 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.12 -34.86 75.65 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 121.568 0.699 . . . . 0.0 109.727 179.532 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.532 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -83.4 -21.24 33.08 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.847 0.832 . . . . 0.0 109.109 178.879 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.463 ' HB2' ' HA ' ' A' ' 8' ' ' ILE . 6.1 mt -72.28 -15.7 61.9 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.613 0.721 . . . . 0.0 109.741 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -92.3 -32.73 14.9 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.88 0.848 . . . . 0.0 109.321 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.16 -3.55 58.98 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.77 -0.581 . . . . 0.0 110.187 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.07 -33.52 44.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.376 -0.828 . . . . 0.0 110.278 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -83.2 179.84 7.61 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.569 -0.707 . . . . 0.0 109.669 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -53.67 98.7 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.179 -0.95 . . . . 0.0 110.116 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -113.83 -54.8 2.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.36 -0.837 . . . . 0.0 110.206 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.294 0.568 . . . . 0.0 110.049 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -118.77 10.67 12.46 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.202 -0.936 . . . . 0.0 110.75 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -103.18 -71.27 0.73 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.181 -0.949 . . . . 0.0 110.387 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.444 ' O ' HG13 ' A' ' 8' ' ' ILE . 1.4 mt -57.37 -14.56 4.84 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.575 -0.703 . . . . 0.0 109.969 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.95 -27.84 33.65 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.535 -0.728 . . . . 0.0 110.831 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.76 -12.71 58.45 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.55 -0.719 . . . . 0.0 110.654 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -100.1 -12.63 19.5 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.868 . . . . 0.0 110.021 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 4' ' ' LEU . 71.0 mt -85.96 -26.73 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.324 -0.86 . . . . 0.0 109.858 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.547 ' HD2' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -68.78 -49.57 57.56 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-O 121.84 0.829 . . . . 0.0 108.997 179.289 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.647 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -59.16 -26.07 64.44 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-O 121.788 0.804 . . . . 0.0 109.267 179.594 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.7 mt -86.66 3.33 45.11 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.193 0.521 . . . . 0.0 110.386 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -117.27 -43.89 2.81 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.233 -0.917 . . . . 0.0 110.598 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.33 -22.05 28.67 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-O 121.383 0.611 . . . . 0.0 110.631 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 10' ' ' PHE . . . -85.45 0.91 50.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.317 -0.865 . . . . 0.0 110.471 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -54.22 -18.96 4.41 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.3 -0.875 . . . . 0.0 110.745 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.35 -0.34 55.69 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.254 -0.904 . . . . 0.0 110.577 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -80.33 141.01 35.85 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.093 -1.005 . . . . 0.0 110.255 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.857 -1.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 3' ' ' LYS . 2.7 tttp . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.173 0.511 . . . . 0.0 110.084 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.472 ' CB ' ' O ' ' A' ' 1' ' ' LYS . 3.0 t-105 66.81 -60.32 0.35 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.253 -0.905 . . . . 0.0 110.071 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' A' ' 1' ' ' LYS . 21.3 mtpt -68.48 -166.26 0.07 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.267 -0.896 . . . . 0.0 110.253 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.2 mt -82.11 8.38 11.0 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.184 -0.948 . . . . 0.0 110.042 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -73.05 -5.5 39.33 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.243 -0.911 . . . . 0.0 110.007 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -85.38 -4.46 59.17 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.392 -0.818 . . . . 0.0 110.246 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -101.4 -22.16 14.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.307 -0.871 . . . . 0.0 110.257 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.8 mt -85.43 -15.24 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.526 -0.734 . . . . 0.0 109.999 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.569 ' HE3' ' CE2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -74.53 -42.17 59.33 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.513 -0.742 . . . . 0.0 109.774 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.569 ' CE2' ' HE3' ' A' ' 9' ' ' LYS . 1.2 m-85 -76.94 -16.44 59.36 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.803 0.811 . . . . 0.0 109.601 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 11' ' ' LEU . 54.7 mt -86.7 -2.3 58.42 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.709 -0.619 . . . . 0.0 110.407 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.36 -28.96 10.04 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.279 -0.888 . . . . 0.0 109.709 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.6 m -86.08 -26.31 25.37 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-O 121.54 0.686 . . . . 0.0 110.015 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.07 -13.22 61.9 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.569 -0.707 . . . . 0.0 110.26 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 14.3 tttt -73.01 -8.13 54.33 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.541 -0.724 . . . . 0.0 109.904 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -64.28 -167.04 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.531 -0.73 . . . . 0.0 110.47 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.585 ' O ' ' CG ' ' A' ' 17' ' ' PHE . 66.9 t80 -130.47 36.68 3.93 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.392 -0.817 . . . . 0.0 110.008 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.828 -1.795 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.379 0.609 . . . . 0.0 110.094 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.649 ' N ' ' CD1' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -48.87 98.95 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.251 -0.905 . . . . 0.0 110.797 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.03 11.91 1.23 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.189 -0.944 . . . . 0.0 110.521 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.09 1.86 45.93 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.222 -0.924 . . . . 0.0 110.255 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 5' ' ' PHE . 15.6 t80 -50.84 -49.68 58.29 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.284 -0.885 . . . . 0.0 110.214 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -59.71 -14.94 16.31 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-O 121.585 0.707 . . . . 0.0 109.934 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.87 -16.61 23.89 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.508 -0.745 . . . . 0.0 109.994 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.498 ' HA ' HD12 ' A' ' 11' ' ' LEU . 41.1 mt -70.95 -32.57 48.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 CA-C-O 121.889 0.852 . . . . 0.0 108.919 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.537 ' CD ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -69.0 -47.59 65.15 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.844 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -10.84 40.4 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-O 121.448 0.642 . . . . 0.0 109.384 178.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 8' ' ' ILE . 10.4 mt -82.81 -8.64 59.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.4 -0.812 . . . . 0.0 110.406 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.58 -28.93 9.47 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.879 0.847 . . . . 0.0 109.123 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.32 -13.6 49.11 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.645 0.736 . . . . 0.0 109.391 178.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.22 -19.6 31.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.492 -0.755 . . . . 0.0 110.215 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.498 ' CG ' ' N ' ' A' ' 16' ' ' LYS . 9.3 pttm -57.67 -40.06 78.51 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 121.882 0.848 . . . . 0.0 109.569 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.498 ' N ' ' CG ' ' A' ' 15' ' ' LYS . 40.7 pttt -85.62 143.23 28.56 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.165 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -87.99 165.03 15.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.105 -0.997 . . . . 0.0 110.428 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.99 -1.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.109 0.48 . . . . 0.0 110.182 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 15.9 t90 -165.24 -102.31 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.152 -0.967 . . . . 0.0 110.52 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -149.86 15.06 0.84 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.781 -1.199 . . . . 0.0 110.476 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -85.26 15.36 4.35 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.171 -0.955 . . . . 0.0 110.158 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.693 ' HA ' HD12 ' A' ' 8' ' ' ILE . 1.6 p90 -57.41 -27.4 62.34 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.39 -0.819 . . . . 0.0 110.407 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -79.81 -1.05 37.11 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.551 -0.718 . . . . 0.0 109.81 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -101.42 -17.76 16.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.44 -0.787 . . . . 0.0 109.224 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.693 HD12 ' HA ' ' A' ' 5' ' ' PHE . 29.9 mt -85.74 -39.49 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 CA-C-O 121.861 0.838 . . . . 0.0 109.866 179.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.595 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -57.97 -28.16 64.1 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.246 0.546 . . . . 0.0 110.783 -179.52 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.595 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 85.7 t80 -89.86 -37.26 14.57 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.345 -0.847 . . . . 0.0 109.694 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.4 mt -75.0 -4.66 39.63 Favored 'General case' 0 C--N 1.293 -1.871 0 CA-C-O 121.568 0.699 . . . . 0.0 109.251 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 3.2 m170 -103.0 -30.88 10.5 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-O 121.802 0.81 . . . . 0.0 109.703 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.2 p -85.59 -19.2 31.4 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-O 121.39 0.614 . . . . 0.0 110.569 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.08 -37.91 23.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.394 -0.816 . . . . 0.0 110.146 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -84.46 163.55 19.39 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.599 -0.688 . . . . 0.0 109.738 179.613 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 15' ' ' LYS . 27.3 mtmt -61.2 -144.36 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.148 -0.97 . . . . 0.0 110.233 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -72.2 100.27 2.54 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.161 -0.962 . . . . 0.0 110.191 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.285 0 O-C-N 119.772 -1.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.3 mttm . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.263 0.554 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -133.27 87.58 2.41 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.278 -0.888 . . . . 0.0 109.76 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.07 9.1 6.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.177 -0.952 . . . . 0.0 110.554 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.413 HD12 HD11 ' A' ' 8' ' ' ILE . 0.6 OUTLIER -84.04 13.2 5.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.117 -0.989 . . . . 0.0 110.169 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -69.36 -24.37 63.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.257 -0.902 . . . . 0.0 110.268 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -70.96 -5.71 33.08 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.418 -0.801 . . . . 0.0 110.474 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.455 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -109.5 -5.59 15.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.24 -0.913 . . . . 0.0 109.76 179.323 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.425 ' HA ' HD12 ' A' ' 11' ' ' LEU . 39.0 mm -80.44 -49.9 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.288 -0.882 . . . . 0.0 109.318 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.546 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.64 -26.87 68.27 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-O 121.924 0.869 . . . . 0.0 108.74 179.206 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.546 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -75.83 -20.61 58.02 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 121.856 0.836 . . . . 0.0 109.365 179.434 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 7' ' ' LYS . 16.4 mt -85.39 2.76 43.01 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.443 0.64 . . . . 0.0 110.195 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.54 -29.64 8.66 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.304 -0.872 . . . . 0.0 109.027 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.82 -21.18 28.23 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 121.586 0.708 . . . . 0.0 109.511 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.18 -60.15 3.05 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.823 0.821 . . . . 0.0 109.684 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -69.51 -145.46 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.853 -0.53 . . . . 0.0 109.708 179.519 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -47.21 175.1 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.083 -1.011 . . . . 0.0 110.107 179.713 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -66.89 -50.16 63.34 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.168 -0.957 . . . . 0.0 110.134 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.882 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.4 mt . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.236 0.541 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -21.35 62.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.276 -0.89 . . . . 0.0 109.419 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.455 ' HE2' ' CG ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -70.95 -10.9 60.54 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.598 -0.689 . . . . 0.0 109.678 179.501 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.455 ' CG ' ' HE2' ' A' ' 6' ' ' LYS . 3.6 mttp -95.83 -26.17 15.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.514 -0.741 . . . . 0.0 109.932 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.43 ' HA ' HD12 ' A' ' 11' ' ' LEU . 43.1 mm -83.68 -19.16 9.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 CA-C-O 121.695 0.76 . . . . 0.0 109.855 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.619 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -71.07 -37.69 72.47 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-O 121.695 0.76 . . . . 0.0 110.121 179.708 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.619 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -72.17 -27.45 62.58 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 122.02 0.914 . . . . 0.0 108.892 179.745 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 8' ' ' ILE . 8.0 mt -71.41 -23.01 61.79 Favored 'General case' 0 C--N 1.294 -1.814 0 CA-C-O 121.825 0.821 . . . . 0.0 109.187 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -76.78 -31.5 57.06 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.882 0.849 . . . . 0.0 109.352 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -84.16 -11.46 56.54 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-O 121.425 0.631 . . . . 0.0 109.836 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.428 -0.795 . . . . 0.0 109.816 179.683 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.229 0.538 . . . . 0.0 110.116 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.94 -17.9 54.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.246 -0.909 . . . . 0.0 110.78 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -5.89 40.16 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.149 -0.969 . . . . 0.0 109.972 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.8 -10.26 19.26 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.426 -0.796 . . . . 0.0 109.802 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 10.5 mt -85.69 -47.89 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.449 -0.782 . . . . 0.0 109.809 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.549 ' HD3' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.29 -20.46 62.93 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.758 0.789 . . . . 0.0 109.251 179.598 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.549 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -86.4 -12.73 48.37 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.576 0.703 . . . . 0.0 109.659 179.702 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 10.3 mt -83.0 -9.79 59.1 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.578 -0.702 . . . . 0.0 110.334 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -104.65 -32.28 8.98 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.29 -0.881 . . . . 0.0 109.463 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.5 t -86.47 -13.25 46.67 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-O 121.468 0.651 . . . . 0.0 109.773 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 10' ' ' PHE . . . . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.453 -0.78 . . . . 0.0 109.47 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.237 0.542 . . . . 0.0 110.164 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -124.73 -28.74 3.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.041 -1.037 . . . . 0.0 110.87 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.99 -4.62 47.94 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.396 -0.815 . . . . 0.0 110.01 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -100.37 -16.31 17.68 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.4 -0.813 . . . . 0.0 109.743 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.403 HD13 HD12 ' A' ' 11' ' ' LEU . 34.4 mm -86.23 -20.63 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 CA-C-O 121.535 0.684 . . . . 0.0 110.13 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.601 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -67.88 -49.32 62.66 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.935 0.874 . . . . 0.0 109.888 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.601 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -67.45 -24.72 65.66 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-O 121.888 0.851 . . . . 0.0 109.709 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.403 HD12 HD13 ' A' ' 8' ' ' ILE . 24.4 mt -72.82 -13.11 61.23 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.346 0.594 . . . . 0.0 110.448 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.27 -28.22 8.34 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.153 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.69 -25.81 64.97 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.481 -0.762 . . . . 0.0 109.666 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.645 0 CA-C-O 121.556 0.693 . . . . 0.0 110.599 179.724 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.093 0.473 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -90.22 -19.26 24.38 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.058 -1.026 . . . . 0.0 111.037 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.11 1.1 33.2 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.255 -0.903 . . . . 0.0 110.15 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -106.22 -12.43 15.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.318 -0.864 . . . . 0.0 109.529 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.496 ' HA ' HD12 ' A' ' 11' ' ' LEU . 9.1 mt -75.17 -43.33 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 CA-C-O 121.693 0.759 . . . . 0.0 109.479 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.591 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.69 -33.99 74.97 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -66.08 -20.71 66.25 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.379 0.609 . . . . 0.0 109.941 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 8' ' ' ILE . 32.7 mt -74.11 -6.81 49.86 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.368 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -109.03 -31.68 7.53 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.711 0.767 . . . . 0.0 109.684 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.11 -6.32 59.04 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.66 -0.65 . . . . 0.0 110.146 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.227 -0.921 . . . . 0.0 110.087 -179.761 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.519 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 5.6 mp . . . . . 0 N--CA 1.495 1.809 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -55.95 -45.86 78.74 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.706 -1.246 . . . . 0.0 109.334 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.97 -0.51 21.81 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.407 0.623 . . . . 0.0 109.539 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.702 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -99.72 -8.45 24.28 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.47 -0.769 . . . . 0.0 109.733 179.464 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.3 mt -84.95 -58.93 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 CA-C-O 121.681 0.753 . . . . 0.0 110.54 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.532 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -46.56 -30.68 2.37 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-O 121.379 0.609 . . . . 0.0 111.135 -179.324 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.532 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 9.2 t80 -96.18 -19.14 19.58 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.396 -0.815 . . . . 0.0 110.665 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.702 HD12 ' O ' ' A' ' 7' ' ' LYS . 12.3 mt -83.73 9.3 12.11 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.392 -0.818 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.22 -44.07 2.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.287 -0.883 . . . . 0.0 110.541 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.7 t -85.21 -16.76 39.21 Favored 'General case' 0 C--N 1.292 -1.914 0 O-C-N 121.565 -0.709 . . . . 0.0 110.289 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.607 0 O-C-N 121.462 -0.773 . . . . 0.0 110.393 -179.906 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.515 0.674 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -51.13 -23.37 3.15 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.486 -0.759 . . . . 0.0 109.988 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.484 ' HE2' ' HB2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -75.93 -1.11 23.94 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.608 -0.682 . . . . 0.0 110.015 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.484 ' HB2' ' HE2' ' A' ' 6' ' ' LYS . 4.0 ttmm -107.44 -20.51 13.23 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.275 -0.891 . . . . 0.0 109.771 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.2 mm -85.98 -21.82 7.49 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 121.484 -0.76 . . . . 0.0 110.463 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.598 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -80.48 -36.73 33.03 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.287 -0.883 . . . . 0.0 108.835 179.119 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.966 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 0.4 OUTLIER -69.37 -21.09 63.83 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.677 0.751 . . . . 0.0 109.104 179.636 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 11' ' ' LEU . 14.8 mt -85.5 2.01 46.49 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 119.864 -0.735 . . . . 0.0 109.696 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -132.21 -41.34 1.0 Allowed 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.313 -0.867 . . . . 0.0 109.785 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.1 t -85.79 -27.69 25.01 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.556 0.694 . . . . 0.0 110.323 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.966 ' HB3' ' O ' ' A' ' 10' ' ' PHE . . . . . . . . 0 C--N 1.298 -1.667 0 O-C-N 121.437 -0.789 . . . . 0.0 110.267 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 33.8 mt . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.267 0.556 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -33.13 70.95 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.209 -0.932 . . . . 0.0 110.144 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.451 ' O ' ' HE2' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -66.1 -13.48 60.15 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.499 -0.75 . . . . 0.0 109.694 179.559 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -97.71 -5.93 34.08 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.448 -0.783 . . . . 0.0 109.781 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.3 mm -85.56 -58.27 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.421 -0.799 . . . . 0.0 110.531 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.553 ' HD3' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -53.64 -21.6 7.16 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.515 -0.741 . . . . 0.0 109.945 -179.738 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.553 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 31.2 t80 -88.9 -21.63 23.53 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.795 0.807 . . . . 0.0 109.347 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 11' ' ' LEU . 11.3 mt -90.37 -11.22 41.21 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.534 0.683 . . . . 0.0 109.638 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -91.09 -36.71 13.85 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.787 0.803 . . . . 0.0 109.866 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.47 -44.92 23.37 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 121.622 0.725 . . . . 0.0 110.199 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.851 0 O-C-N 121.765 -0.584 . . . . 0.0 110.438 179.901 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.321 0.582 . . . . 0.0 110.169 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.649 ' HA ' HD12 ' A' ' 8' ' ' ILE . 40.3 t80 -68.46 -9.03 46.04 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.334 -0.854 . . . . 0.0 109.806 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -16.27 60.25 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.421 -0.799 . . . . 0.0 109.356 179.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.473 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 1.2 ttmt -93.38 -17.17 23.83 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.462 0.649 . . . . 0.0 109.85 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.902 ' HA ' HD12 ' A' ' 11' ' ' LEU . 59.1 mt -75.27 -31.57 24.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 CA-C-O 121.739 0.78 . . . . 0.0 109.508 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.518 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -72.38 -36.9 68.83 Favored 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 119.33 -0.948 . . . . 0.0 108.557 178.678 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.784 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 48.3 t80 -69.57 -8.01 43.59 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.902 HD12 ' HA ' ' A' ' 8' ' ' ILE . 37.8 mt -88.4 14.09 10.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.429 -0.795 . . . . 0.0 110.053 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -124.02 -49.92 1.83 Allowed 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.89 0.852 . . . . 0.0 109.851 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.2 m -86.09 -19.26 30.49 Favored 'General case' 0 C--N 1.292 -1.914 0 C-N-CA 120.221 -0.591 . . . . 0.0 110.814 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.784 ' HB3' ' O ' ' A' ' 10' ' ' PHE . . . . . . . . 0 N--CA 1.493 1.72 0 O-C-N 121.449 -0.782 . . . . 0.0 111.39 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 121.117 0.484 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.504 ' HA ' HD12 ' A' ' 8' ' ' ILE . 64.2 t80 -61.48 -18.5 59.32 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.157 -0.964 . . . . 0.0 110.023 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.63 -15.4 60.34 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.513 -0.742 . . . . 0.0 109.698 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 0.8 OUTLIER -90.32 -18.98 24.58 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.705 0.764 . . . . 0.0 109.326 179.388 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 5' ' ' PHE . 77.9 mt -71.31 -29.61 36.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 CA-C-O 121.601 0.715 . . . . 0.0 109.479 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.57 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -69.32 -47.33 64.78 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.704 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.57 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -58.42 -23.24 56.81 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.091 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 11' ' ' LEU . 4.5 mt -78.56 -8.6 58.77 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.391 0.615 . . . . 0.0 109.685 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 1.6 m-70 -97.7 -40.46 8.57 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.514 -0.741 . . . . 0.0 109.772 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.63 -26.07 37.95 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-O 121.866 0.841 . . . . 0.0 108.841 178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 10' ' ' PHE . . . . . . . . 0 C--N 1.298 -1.673 0 CA-C-O 121.345 0.593 . . . . 0.0 109.5 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.636 HD23 ' HG3' ' A' ' 7' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.224 0.535 . . . . 0.0 110.121 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -51.97 -20.25 2.26 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.167 -0.958 . . . . 0.0 110.374 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.526 ' HD3' ' HA ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -80.84 -15.9 55.12 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.217 -0.927 . . . . 0.0 109.46 179.618 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.636 ' HG3' HD23 ' A' ' 4' ' ' LEU . 8.4 mmtm -93.25 -8.63 41.68 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.502 0.668 . . . . 0.0 109.407 179.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.474 HD13 HD12 ' A' ' 11' ' ' LEU . 29.8 mm -80.85 -31.53 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.401 -0.812 . . . . 0.0 109.322 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.528 ' HD3' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -77.68 -39.6 44.26 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.68 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.583 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.4 t80 -74.0 -16.51 61.06 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.772 0.796 . . . . 0.0 108.895 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.474 HD12 HD13 ' A' ' 8' ' ' ILE . 6.3 mt -78.86 0.82 25.64 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.446 0.641 . . . . 0.0 109.85 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -116.22 -36.47 4.05 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.412 -0.805 . . . . 0.0 110.079 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.74 -37.96 17.4 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-O 121.813 0.816 . . . . 0.0 110.157 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 10' ' ' PHE . . . . . . . . 0 C--N 1.297 -1.696 0 O-C-N 121.645 -0.659 . . . . 0.0 109.878 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.217 0.532 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -66.48 -23.19 66.22 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.364 -0.835 . . . . 0.0 110.033 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.497 ' CE ' ' HD2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -65.25 -9.32 22.94 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.676 -0.64 . . . . 0.0 110.012 179.445 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.497 ' HD2' ' CE ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -94.43 -7.46 41.43 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.422 -0.799 . . . . 0.0 109.783 179.594 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.413 HD13 HG21 ' A' ' 8' ' ' ILE . 3.3 mt -85.13 -41.97 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.355 -0.84 . . . . 0.0 110.135 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.601 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -59.16 -32.71 70.14 Favored 'General case' 0 C--N 1.296 -1.761 0 CA-C-O 121.808 0.813 . . . . 0.0 110.041 -179.742 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.601 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 42.8 t80 -73.66 -20.37 60.58 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-O 121.843 0.83 . . . . 0.0 109.729 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 11' ' ' LEU . 4.1 mt -81.41 -8.87 59.8 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 121.376 0.608 . . . . 0.0 110.455 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.45 -35.77 9.07 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.748 0.785 . . . . 0.0 109.98 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.76 -12.67 57.34 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.524 -0.735 . . . . 0.0 109.787 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 121.788 0.804 . . . . 0.0 110.354 179.535 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.2 mt . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.276 0.56 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -34.96 78.93 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.363 -0.835 . . . . 0.0 110.431 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.482 ' O ' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -73.98 -3.18 27.62 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.57 -0.706 . . . . 0.0 109.935 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.968 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -108.69 -15.78 14.33 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.358 -0.839 . . . . 0.0 109.994 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.4 mt -86.39 -34.28 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.464 -0.772 . . . . 0.0 110.513 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.582 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -67.95 -25.02 65.24 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.512 -0.743 . . . . 0.0 109.726 -179.805 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.749 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 12.9 t80 -76.51 -35.19 58.46 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.423 -0.798 . . . . 0.0 109.864 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.968 HD12 ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -63.18 -11.18 18.89 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.415 -0.803 . . . . 0.0 109.722 179.38 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -96.22 -51.19 4.5 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-O 121.757 0.789 . . . . 0.0 110.455 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.7 m -85.38 -24.71 27.44 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.537 -0.727 . . . . 0.0 110.702 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 10' ' ' PHE . . . . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.364 -0.835 . . . . 0.0 110.284 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.469 ' O ' HG13 ' A' ' 8' ' ' ILE . 14.5 mt . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 120.901 0.381 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.91 -21.03 57.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.957 -1.089 . . . . 0.0 110.576 -179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -85.54 15.7 4.37 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.411 -0.805 . . . . 0.0 110.12 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.43 -25.37 2.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.327 -0.858 . . . . 0.0 110.731 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 4' ' ' LEU . 41.4 mt -81.76 -23.45 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.304 -0.873 . . . . 0.0 109.72 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.568 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -76.97 -28.21 55.05 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.945 0.879 . . . . 0.0 108.744 179.156 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.568 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -80.57 -15.92 55.46 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.461 0.648 . . . . 0.0 109.662 179.806 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.51 ' HA ' HD23 ' A' ' 11' ' ' LEU . 4.9 mt -80.84 -7.74 59.52 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.352 -0.843 . . . . 0.0 110.29 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.16 -25.45 9.72 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.868 0.842 . . . . 0.0 109.778 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.71 -16.74 38.01 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 121.57 0.7 . . . . 0.0 109.54 179.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.675 -0.641 . . . . 0.0 111.107 -179.658 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.365 0.602 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.36 -56.15 8.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.486 -0.759 . . . . 0.0 111.01 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.3 -8.94 36.07 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.597 -0.689 . . . . 0.0 110.592 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -96.39 -15.45 21.81 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.222 -0.924 . . . . 0.0 110.085 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 11' ' ' LEU . 63.6 mt -73.87 -63.26 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 CA-C-O 121.862 0.839 . . . . 0.0 109.431 179.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.58 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -47.85 -27.77 2.26 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-O 121.545 0.688 . . . . 0.0 110.469 179.625 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.58 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 40.2 t80 -81.93 -18.48 43.45 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.485 -0.76 . . . . 0.0 109.985 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 11' ' ' LEU . 6.1 mt -86.2 0.63 53.23 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.624 -0.672 . . . . 0.0 109.952 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -107.91 -31.24 8.08 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-O 121.842 0.83 . . . . 0.0 110.181 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 t -85.89 -42.88 13.71 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-O 121.515 0.674 . . . . 0.0 111.059 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.834 0 O-C-N 121.465 -0.772 . . . . 0.0 110.083 -179.653 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.247 0.546 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.62 -18.23 58.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.252 -0.905 . . . . 0.0 110.353 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -85.54 -3.28 58.82 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.394 -0.816 . . . . 0.0 109.911 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -111.81 -15.07 13.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.353 -0.842 . . . . 0.0 109.918 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.463 ' HA ' ' HB2' ' A' ' 11' ' ' LEU . 22.6 mm -79.79 -41.82 22.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 CA-C-O 121.846 0.831 . . . . 0.0 109.499 179.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.532 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.12 -34.86 75.65 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 121.568 0.699 . . . . 0.0 109.727 179.532 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.532 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -83.4 -21.24 33.08 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.847 0.832 . . . . 0.0 109.109 178.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.463 ' HB2' ' HA ' ' A' ' 8' ' ' ILE . 6.1 mt -72.28 -15.7 61.9 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.613 0.721 . . . . 0.0 109.741 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -92.3 -32.73 14.9 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.88 0.848 . . . . 0.0 109.321 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.16 -3.55 58.98 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.77 -0.581 . . . . 0.0 110.187 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.376 -0.828 . . . . 0.0 110.278 -179.782 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.444 ' O ' HG13 ' A' ' 8' ' ' ILE . 1.4 mt . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.497 0.665 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.95 -27.84 33.65 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.535 -0.728 . . . . 0.0 110.831 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.76 -12.71 58.45 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.55 -0.719 . . . . 0.0 110.654 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -100.1 -12.63 19.5 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.868 . . . . 0.0 110.021 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 4' ' ' LEU . 71.0 mt -85.96 -26.73 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.324 -0.86 . . . . 0.0 109.858 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.547 ' HD2' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -68.78 -49.57 57.56 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-O 121.84 0.829 . . . . 0.0 108.997 179.289 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.647 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -59.16 -26.07 64.44 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-O 121.788 0.804 . . . . 0.0 109.267 179.594 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.7 mt -86.66 3.33 45.11 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.193 0.521 . . . . 0.0 110.386 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -117.27 -43.89 2.81 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.233 -0.917 . . . . 0.0 110.598 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.33 -22.05 28.67 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-O 121.383 0.611 . . . . 0.0 110.631 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 10' ' ' PHE . . . . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.317 -0.865 . . . . 0.0 110.471 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.2 mt . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.275 0.559 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -73.05 -5.5 39.33 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.243 -0.911 . . . . 0.0 110.007 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -85.38 -4.46 59.17 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.392 -0.818 . . . . 0.0 110.246 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -101.4 -22.16 14.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.307 -0.871 . . . . 0.0 110.257 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.8 mt -85.43 -15.24 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.526 -0.734 . . . . 0.0 109.999 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.569 ' HE3' ' CE2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -74.53 -42.17 59.33 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.513 -0.742 . . . . 0.0 109.774 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.569 ' CE2' ' HE3' ' A' ' 9' ' ' LYS . 1.2 m-85 -76.94 -16.44 59.36 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.803 0.811 . . . . 0.0 109.601 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 11' ' ' LEU . 54.7 mt -86.7 -2.3 58.42 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.709 -0.619 . . . . 0.0 110.407 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.36 -28.96 10.04 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.279 -0.888 . . . . 0.0 109.709 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.6 m -86.08 -26.31 25.37 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-O 121.54 0.686 . . . . 0.0 110.015 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.713 0 O-C-N 121.569 -0.707 . . . . 0.0 110.26 179.999 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 121.266 0.555 . . . . 0.0 110.255 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 5' ' ' PHE . 15.6 t80 -50.84 -49.68 58.29 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.284 -0.885 . . . . 0.0 110.214 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -59.71 -14.94 16.31 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-O 121.585 0.707 . . . . 0.0 109.934 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.87 -16.61 23.89 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.508 -0.745 . . . . 0.0 109.994 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.498 ' HA ' HD12 ' A' ' 11' ' ' LEU . 41.1 mt -70.95 -32.57 48.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 CA-C-O 121.889 0.852 . . . . 0.0 108.919 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.537 ' CD ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -69.0 -47.59 65.15 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.844 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -10.84 40.4 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-O 121.448 0.642 . . . . 0.0 109.384 178.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 8' ' ' ILE . 10.4 mt -82.81 -8.64 59.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.4 -0.812 . . . . 0.0 110.406 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.58 -28.93 9.47 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.879 0.847 . . . . 0.0 109.123 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.32 -13.6 49.11 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.645 0.736 . . . . 0.0 109.391 178.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.492 -0.755 . . . . 0.0 110.215 179.824 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.22 0.533 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.693 ' HA ' HD12 ' A' ' 8' ' ' ILE . 1.6 p90 -57.41 -27.4 62.34 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.39 -0.819 . . . . 0.0 110.407 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -79.81 -1.05 37.11 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.551 -0.718 . . . . 0.0 109.81 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -101.42 -17.76 16.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.44 -0.787 . . . . 0.0 109.224 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.693 HD12 ' HA ' ' A' ' 5' ' ' PHE . 29.9 mt -85.74 -39.49 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 CA-C-O 121.861 0.838 . . . . 0.0 109.866 179.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.595 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -57.97 -28.16 64.1 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.246 0.546 . . . . 0.0 110.783 -179.52 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.595 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 85.7 t80 -89.86 -37.26 14.57 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.345 -0.847 . . . . 0.0 109.694 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.4 mt -75.0 -4.66 39.63 Favored 'General case' 0 C--N 1.293 -1.871 0 CA-C-O 121.568 0.699 . . . . 0.0 109.251 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 3.2 m170 -103.0 -30.88 10.5 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-O 121.802 0.81 . . . . 0.0 109.703 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.2 p -85.59 -19.2 31.4 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-O 121.39 0.614 . . . . 0.0 110.569 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.394 -0.816 . . . . 0.0 110.146 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.413 HD12 HD11 ' A' ' 8' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.28 0.562 . . . . 0.0 110.169 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -69.36 -24.37 63.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.257 -0.902 . . . . 0.0 110.268 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -70.96 -5.71 33.08 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.418 -0.801 . . . . 0.0 110.474 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.455 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -109.5 -5.59 15.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.24 -0.913 . . . . 0.0 109.76 179.323 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.425 ' HA ' HD12 ' A' ' 11' ' ' LEU . 39.0 mm -80.44 -49.9 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.288 -0.882 . . . . 0.0 109.318 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.546 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.64 -26.87 68.27 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-O 121.924 0.869 . . . . 0.0 108.74 179.206 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.546 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -75.83 -20.61 58.02 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 121.856 0.836 . . . . 0.0 109.365 179.434 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 7' ' ' LYS . 16.4 mt -85.39 2.76 43.01 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.443 0.64 . . . . 0.0 110.195 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.54 -29.64 8.66 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.304 -0.872 . . . . 0.0 109.027 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.82 -21.18 28.23 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 121.586 0.708 . . . . 0.0 109.511 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.823 0.821 . . . . 0.0 109.684 179.613 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.426 ' CG ' ' N ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.194 0.521 . . . . 0.0 110.285 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.426 ' N ' ' CG ' ' A' ' 1' ' ' LYS . 1.1 t90 -161.63 -158.59 0.57 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.187 -0.946 . . . . 0.0 110.164 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.7 pttm -163.9 114.08 1.28 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.228 -0.92 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.4 mt -70.71 -4.08 21.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.111 -0.993 . . . . 0.0 110.253 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -21.35 62.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.276 -0.89 . . . . 0.0 109.419 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.455 ' HE2' ' CG ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -70.95 -10.9 60.54 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.598 -0.689 . . . . 0.0 109.678 179.501 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.455 ' CG ' ' HE2' ' A' ' 6' ' ' LYS . 3.6 mttp -95.83 -26.17 15.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.514 -0.741 . . . . 0.0 109.932 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.43 ' HA ' HD12 ' A' ' 11' ' ' LEU . 43.1 mm -83.68 -19.16 9.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 CA-C-O 121.695 0.76 . . . . 0.0 109.855 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.619 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -71.07 -37.69 72.47 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-O 121.695 0.76 . . . . 0.0 110.121 179.708 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.619 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -72.17 -27.45 62.58 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 122.02 0.914 . . . . 0.0 108.892 179.745 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 8' ' ' ILE . 8.0 mt -71.41 -23.01 61.79 Favored 'General case' 0 C--N 1.294 -1.814 0 CA-C-O 121.825 0.821 . . . . 0.0 109.187 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -76.78 -31.5 57.06 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.882 0.849 . . . . 0.0 109.352 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -84.16 -11.46 56.54 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-O 121.425 0.631 . . . . 0.0 109.836 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.54 -16.18 58.82 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.428 -0.795 . . . . 0.0 109.816 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -77.38 3.4 13.31 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.641 -0.662 . . . . 0.0 110.225 179.802 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 15' ' ' LYS . 5.9 mmtt -40.33 136.79 1.18 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.437 -0.79 . . . . 0.0 110.862 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -87.96 77.6 8.43 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.43 -0.794 . . . . 0.0 109.974 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.291 0 O-C-N 119.822 -1.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.367 0.604 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER 46.46 -161.44 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.301 -0.874 . . . . 0.0 110.018 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.23 94.61 5.25 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.205 -0.935 . . . . 0.0 110.439 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.57 14.54 5.51 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.246 -0.909 . . . . 0.0 110.116 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.94 -17.9 54.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.246 -0.909 . . . . 0.0 110.78 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -5.89 40.16 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.149 -0.969 . . . . 0.0 109.972 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.8 -10.26 19.26 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.426 -0.796 . . . . 0.0 109.802 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 10.5 mt -85.69 -47.89 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.449 -0.782 . . . . 0.0 109.809 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.549 ' HD3' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.29 -20.46 62.93 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.758 0.789 . . . . 0.0 109.251 179.598 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.549 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -86.4 -12.73 48.37 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.576 0.703 . . . . 0.0 109.659 179.702 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.479 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 10.3 mt -83.0 -9.79 59.1 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.578 -0.702 . . . . 0.0 110.334 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -104.65 -32.28 8.98 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.29 -0.881 . . . . 0.0 109.463 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.415 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 3.5 t -86.47 -13.25 46.67 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-O 121.468 0.651 . . . . 0.0 109.773 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 10' ' ' PHE . . . -81.61 -14.03 57.26 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.453 -0.78 . . . . 0.0 109.47 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.479 ' HD2' ' O ' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -68.0 -9.99 49.99 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 121.429 0.633 . . . . 0.0 109.763 179.522 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 13' ' ' SER . 19.8 mttt -53.92 132.61 42.32 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.483 -0.761 . . . . 0.0 110.078 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -69.46 -44.41 71.29 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.252 -0.905 . . . . 0.0 110.24 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.897 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 121.313 0.578 . . . . 0.0 110.069 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -157.06 152.08 26.04 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.259 -0.901 . . . . 0.0 110.264 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.443 ' HE2' ' HE2' ' A' ' 6' ' ' LYS . 12.8 mtpt -103.66 0.45 30.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.2 -0.937 . . . . 0.0 110.288 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.61 14.85 5.15 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.217 -0.927 . . . . 0.0 110.164 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -124.73 -28.74 3.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.041 -1.037 . . . . 0.0 110.87 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.443 ' HE2' ' HE2' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -77.99 -4.62 47.94 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.396 -0.815 . . . . 0.0 110.01 179.821 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -100.37 -16.31 17.68 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.4 -0.813 . . . . 0.0 109.743 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.403 HD13 HD12 ' A' ' 11' ' ' LEU . 34.4 mm -86.23 -20.63 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 CA-C-O 121.535 0.684 . . . . 0.0 110.13 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.601 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -67.88 -49.32 62.66 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.935 0.874 . . . . 0.0 109.888 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.601 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -67.45 -24.72 65.66 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-O 121.888 0.851 . . . . 0.0 109.709 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.403 HD12 HD13 ' A' ' 8' ' ' ILE . 24.4 mt -72.82 -13.11 61.23 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.346 0.594 . . . . 0.0 110.448 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.476 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -111.27 -28.22 8.34 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.153 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.69 -25.81 64.97 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.481 -0.762 . . . . 0.0 109.666 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.31 -35.93 19.59 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.556 0.693 . . . . 0.0 110.599 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.77 -38.18 33.76 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.562 0.696 . . . . 0.0 110.351 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 1.0 OUTLIER -85.52 131.07 34.43 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.677 -0.639 . . . . 0.0 110.082 179.766 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -45.47 138.43 4.33 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.21 -0.932 . . . . 0.0 110.075 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 119.798 -1.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.414 ' HB3' ' HE3' ' A' ' 1' ' ' LYS . 11.1 mtpp . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.137 0.494 . . . . 0.0 110.088 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -97.47 94.51 7.07 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.272 -0.892 . . . . 0.0 110.082 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -160.27 76.63 0.61 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.27 -0.894 . . . . 0.0 111.002 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.36 5.33 31.23 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.255 -0.903 . . . . 0.0 110.212 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -90.22 -19.26 24.38 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.058 -1.026 . . . . 0.0 111.037 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.11 1.1 33.2 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.255 -0.903 . . . . 0.0 110.15 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -106.22 -12.43 15.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.318 -0.864 . . . . 0.0 109.529 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.496 ' HA ' HD12 ' A' ' 11' ' ' LEU . 9.1 mt -75.17 -43.33 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 CA-C-O 121.693 0.759 . . . . 0.0 109.479 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.591 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.69 -33.99 74.97 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -66.08 -20.71 66.25 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.379 0.609 . . . . 0.0 109.941 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 8' ' ' ILE . 32.7 mt -74.11 -6.81 49.86 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.368 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -109.03 -31.68 7.53 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.711 0.767 . . . . 0.0 109.684 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.11 -6.32 59.04 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.66 -0.65 . . . . 0.0 110.146 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.452 ' HB3' ' HD2' ' A' ' 15' ' ' LYS . . . -77.62 -42.21 35.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.227 -0.921 . . . . 0.0 110.087 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' HD2' ' HB3' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -85.04 -104.69 0.05 Allowed 'General case' 0 C--N 1.293 -1.877 0 O-C-N 121.671 -0.643 . . . . 0.0 109.625 179.518 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' A' ' 15' ' ' LYS . 9.3 mttm -56.72 -162.14 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.971 -1.081 . . . . 0.0 110.039 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -79.99 -52.3 8.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.272 -0.892 . . . . 0.0 110.207 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 119.905 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.171 0.51 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.496 ' CG ' ' N ' ' A' ' 3' ' ' LYS . 30.2 t-105 -113.19 -92.01 0.49 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.212 -0.93 . . . . 0.0 110.486 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.627 ' HB3' HD12 ' A' ' 4' ' ' LEU . 2.2 mmtp -140.34 -100.88 0.15 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.114 -0.991 . . . . 0.0 111.218 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.627 HD12 ' HB3' ' A' ' 3' ' ' LYS . 5.6 mp -85.32 3.8 38.04 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.215 -0.928 . . . . 0.0 111.879 -178.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -55.95 -45.86 78.74 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.706 -1.246 . . . . 0.0 109.334 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.97 -0.51 21.81 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.407 0.623 . . . . 0.0 109.539 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.702 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -99.72 -8.45 24.28 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.47 -0.769 . . . . 0.0 109.733 179.464 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.3 mt -84.95 -58.93 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 CA-C-O 121.681 0.753 . . . . 0.0 110.54 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.532 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -46.56 -30.68 2.37 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-O 121.379 0.609 . . . . 0.0 111.135 -179.324 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.532 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 9.2 t80 -96.18 -19.14 19.58 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.396 -0.815 . . . . 0.0 110.665 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.702 HD12 ' O ' ' A' ' 7' ' ' LYS . 12.3 mt -83.73 9.3 12.11 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.392 -0.818 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.22 -44.07 2.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.287 -0.883 . . . . 0.0 110.541 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.7 t -85.21 -16.76 39.21 Favored 'General case' 0 C--N 1.292 -1.914 0 O-C-N 121.565 -0.709 . . . . 0.0 110.289 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.67 -30.61 23.07 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.462 -0.773 . . . . 0.0 110.393 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -85.84 144.56 27.65 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.614 -0.679 . . . . 0.0 110.572 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -48.27 145.36 3.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.325 -0.859 . . . . 0.0 109.862 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -127.33 72.18 1.37 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.207 -0.933 . . . . 0.0 110.236 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.814 -1.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.321 0.581 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -109.23 -69.16 0.87 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.22 -0.925 . . . . 0.0 109.653 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.509 ' O ' ' HG2' ' A' ' 6' ' ' LYS . 1.2 mmtt -145.11 -165.5 2.18 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.442 -0.786 . . . . 0.0 109.84 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.6 -13.26 13.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.236 -0.915 . . . . 0.0 109.864 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -51.13 -23.37 3.15 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.486 -0.759 . . . . 0.0 109.988 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -75.93 -1.11 23.94 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.608 -0.682 . . . . 0.0 110.015 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.484 ' HB2' ' HE2' ' A' ' 6' ' ' LYS . 4.0 ttmm -107.44 -20.51 13.23 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.275 -0.891 . . . . 0.0 109.771 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.2 mm -85.98 -21.82 7.49 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 121.484 -0.76 . . . . 0.0 110.463 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.598 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -80.48 -36.73 33.03 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.287 -0.883 . . . . 0.0 108.835 179.119 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.966 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 0.4 OUTLIER -69.37 -21.09 63.83 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.677 0.751 . . . . 0.0 109.104 179.636 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.454 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 14.8 mt -85.5 2.01 46.49 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 119.864 -0.735 . . . . 0.0 109.696 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -132.21 -41.34 1.0 Allowed 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.313 -0.867 . . . . 0.0 109.785 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.1 t -85.79 -27.69 25.01 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.556 0.694 . . . . 0.0 110.323 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.966 ' HB3' ' O ' ' A' ' 10' ' ' PHE . . . -86.03 -10.38 55.13 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.437 -0.789 . . . . 0.0 110.267 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.454 ' HD2' ' O ' ' A' ' 11' ' ' LEU . 20.7 mttp -64.4 -98.69 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.444 -0.785 . . . . 0.0 110.108 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -82.66 165.46 19.98 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.125 -0.985 . . . . 0.0 110.528 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -81.98 102.81 11.19 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.348 -0.845 . . . . 0.0 110.162 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.988 -1.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 6' ' ' LYS . 6.0 ttmt . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.378 0.609 . . . . 0.0 110.245 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.457 ' CD1' ' HB2' ' A' ' 3' ' ' LYS . 60.3 t-105 -158.1 -92.57 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.367 -0.833 . . . . 0.0 109.863 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.457 ' HB2' ' CD1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -90.39 -171.89 3.25 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.139 -0.975 . . . . 0.0 109.772 179.506 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 33.8 mt -75.97 1.64 14.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.204 -0.935 . . . . 0.0 109.851 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -33.13 70.95 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.209 -0.932 . . . . 0.0 110.144 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.451 ' O ' ' HE2' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -66.1 -13.48 60.15 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.499 -0.75 . . . . 0.0 109.694 179.559 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -97.71 -5.93 34.08 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.448 -0.783 . . . . 0.0 109.781 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.3 mm -85.56 -58.27 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.421 -0.799 . . . . 0.0 110.531 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.553 ' HD3' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -53.64 -21.6 7.16 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.515 -0.741 . . . . 0.0 109.945 -179.738 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.553 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 31.2 t80 -88.9 -21.63 23.53 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.795 0.807 . . . . 0.0 109.347 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 11' ' ' LEU . 11.3 mt -90.37 -11.22 41.21 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.534 0.683 . . . . 0.0 109.638 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -91.09 -36.71 13.85 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.787 0.803 . . . . 0.0 109.866 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.47 -44.92 23.37 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 121.622 0.725 . . . . 0.0 110.199 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.76 24.91 1.16 Allowed 'General case' 0 C--N 1.293 -1.851 0 O-C-N 121.765 -0.584 . . . . 0.0 110.438 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.59 158.7 0.42 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.171 -0.955 . . . . 0.0 110.281 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -84.86 101.28 12.17 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.344 -0.848 . . . . 0.0 109.901 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -87.72 -21.66 25.06 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.323 -0.86 . . . . 0.0 109.925 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.392 0 O-C-N 119.84 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.195 0.522 . . . . 0.0 110.09 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.479 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 20.6 t-105 -99.67 3.1 44.98 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.247 -0.908 . . . . 0.0 110.131 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.61 137.88 23.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.3 -0.875 . . . . 0.0 110.117 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.472 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.5 OUTLIER -73.01 -5.5 39.22 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.364 -0.835 . . . . 0.0 110.169 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.649 ' HA ' HD12 ' A' ' 8' ' ' ILE . 40.3 t80 -68.46 -9.03 46.04 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.334 -0.854 . . . . 0.0 109.806 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -16.27 60.25 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.421 -0.799 . . . . 0.0 109.356 179.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.473 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 1.2 ttmt -93.38 -17.17 23.83 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.462 0.649 . . . . 0.0 109.85 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.902 ' HA ' HD12 ' A' ' 11' ' ' LEU . 59.1 mt -75.27 -31.57 24.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 CA-C-O 121.739 0.78 . . . . 0.0 109.508 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.518 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -72.38 -36.9 68.83 Favored 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 119.33 -0.948 . . . . 0.0 108.557 178.678 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.784 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 48.3 t80 -69.57 -8.01 43.59 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.902 HD12 ' HA ' ' A' ' 8' ' ' ILE . 37.8 mt -88.4 14.09 10.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.429 -0.795 . . . . 0.0 110.053 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -124.02 -49.92 1.83 Allowed 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.89 0.852 . . . . 0.0 109.851 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.2 m -86.09 -19.26 30.49 Favored 'General case' 0 C--N 1.292 -1.914 0 C-N-CA 120.221 -0.591 . . . . 0.0 110.814 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.784 ' HB3' ' O ' ' A' ' 10' ' ' PHE . . . -85.4 1.65 47.75 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.449 -0.782 . . . . 0.0 111.39 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.505 ' HG3' ' N ' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -61.94 -157.12 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.985 -1.072 . . . . 0.0 110.221 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.505 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -83.09 48.48 1.38 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.225 -0.922 . . . . 0.0 110.822 -179.625 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -144.37 169.48 17.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.182 -0.949 . . . . 0.0 109.93 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.402 0 O-C-N 119.908 -1.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 2' ' ' TRP . 14.1 mtpp . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.192 0.52 . . . . 0.0 110.08 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.442 ' CB ' ' O ' ' A' ' 1' ' ' LYS . 0.7 OUTLIER 63.88 -144.4 0.31 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.306 -0.871 . . . . 0.0 109.716 -179.59 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -140.08 -154.09 0.5 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.132 -0.98 . . . . 0.0 110.077 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.68 10.24 11.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.22 -0.925 . . . . 0.0 110.29 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.504 ' HA ' HD12 ' A' ' 8' ' ' ILE . 64.2 t80 -61.48 -18.5 59.32 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.157 -0.964 . . . . 0.0 110.023 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.63 -15.4 60.34 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.513 -0.742 . . . . 0.0 109.698 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 0.8 OUTLIER -90.32 -18.98 24.58 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.705 0.764 . . . . 0.0 109.326 179.388 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 5' ' ' PHE . 77.9 mt -71.31 -29.61 36.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 CA-C-O 121.601 0.715 . . . . 0.0 109.479 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.57 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -69.32 -47.33 64.78 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.704 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.57 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -58.42 -23.24 56.81 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.091 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 11' ' ' LEU . 4.5 mt -78.56 -8.6 58.77 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.391 0.615 . . . . 0.0 109.685 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 1.6 m-70 -97.7 -40.46 8.57 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.514 -0.741 . . . . 0.0 109.772 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.63 -26.07 37.95 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-O 121.866 0.841 . . . . 0.0 108.841 178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 10' ' ' PHE . . . -85.8 11.89 10.23 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-O 121.345 0.593 . . . . 0.0 109.5 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.28 143.26 0.64 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.396 -0.815 . . . . 0.0 110.579 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 17' ' ' PHE . 3.2 mtpt -70.45 -159.02 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.341 -0.849 . . . . 0.0 109.897 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.482 ' CG ' ' N ' ' A' ' 18' ' ' NH2 . 0.3 OUTLIER -57.86 -152.77 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.184 -0.947 . . . . 0.0 110.575 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . 0.482 ' N ' ' CG ' ' A' ' 17' ' ' PHE . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.822 -1.799 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.409 0.624 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.469 ' CE3' ' HA ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -81.15 -154.74 0.11 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.277 -0.889 . . . . 0.0 110.2 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -71.57 -107.24 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.142 -0.974 . . . . 0.0 110.081 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.636 HD23 ' HG3' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -79.67 8.1 7.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.927 -1.108 . . . . 0.0 110.121 179.62 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -51.97 -20.25 2.26 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.167 -0.958 . . . . 0.0 110.374 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.526 ' HD3' ' HA ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -80.84 -15.9 55.12 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.217 -0.927 . . . . 0.0 109.46 179.618 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.636 ' HG3' HD23 ' A' ' 4' ' ' LEU . 8.4 mmtm -93.25 -8.63 41.68 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.502 0.668 . . . . 0.0 109.407 179.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.474 HD13 HD12 ' A' ' 11' ' ' LEU . 29.8 mm -80.85 -31.53 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.401 -0.812 . . . . 0.0 109.322 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.528 ' HD3' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -77.68 -39.6 44.26 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.68 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.583 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.4 t80 -74.0 -16.51 61.06 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.772 0.796 . . . . 0.0 108.895 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.474 HD12 HD13 ' A' ' 8' ' ' ILE . 6.3 mt -78.86 0.82 25.64 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.446 0.641 . . . . 0.0 109.85 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.471 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -116.22 -36.47 4.05 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.412 -0.805 . . . . 0.0 110.079 -179.645 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.74 -37.96 17.4 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-O 121.813 0.816 . . . . 0.0 110.157 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 10' ' ' PHE . . . -85.46 15.03 4.78 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.645 -0.659 . . . . 0.0 109.878 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -54.01 170.67 0.12 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.28 -0.888 . . . . 0.0 110.296 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -80.63 -177.79 6.44 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.299 -0.876 . . . . 0.0 110.176 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.544 ' O ' ' CG ' ' A' ' 17' ' ' PHE . 55.5 t80 -103.49 7.55 37.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.146 -0.971 . . . . 0.0 110.301 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.893 -1.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.053 0.454 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -82.12 -152.87 0.11 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.097 -1.002 . . . . 0.0 109.935 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' ' 6' ' ' LYS . 3.5 tttt -157.92 96.27 1.46 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.199 -0.938 . . . . 0.0 109.93 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.551 ' H ' HD12 ' A' ' 4' ' ' LEU . 1.1 mp -78.94 3.91 15.72 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.492 -0.755 . . . . 0.0 109.976 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -66.48 -23.19 66.22 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.364 -0.835 . . . . 0.0 110.033 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.497 ' CE ' ' HD2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -65.25 -9.32 22.94 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.676 -0.64 . . . . 0.0 110.012 179.445 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.497 ' HD2' ' CE ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -94.43 -7.46 41.43 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.422 -0.799 . . . . 0.0 109.783 179.594 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.413 HD13 HG21 ' A' ' 8' ' ' ILE . 3.3 mt -85.13 -41.97 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.355 -0.84 . . . . 0.0 110.135 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.601 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -59.16 -32.71 70.14 Favored 'General case' 0 C--N 1.296 -1.761 0 CA-C-O 121.808 0.813 . . . . 0.0 110.041 -179.742 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.601 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 42.8 t80 -73.66 -20.37 60.58 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-O 121.843 0.83 . . . . 0.0 109.729 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 11' ' ' LEU . 4.1 mt -81.41 -8.87 59.8 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 121.376 0.608 . . . . 0.0 110.455 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.524 ' O ' ' HB3' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -101.45 -35.77 9.07 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.748 0.785 . . . . 0.0 109.98 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.76 -12.67 57.34 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.524 -0.735 . . . . 0.0 109.787 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 15' ' ' LYS . . . -65.79 -60.19 3.13 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-O 121.788 0.804 . . . . 0.0 110.354 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -55.67 -162.26 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.815 0 CA-C-O 121.382 0.61 . . . . 0.0 110.969 -179.547 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.41 -5.69 20.47 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.465 -0.772 . . . . 0.0 110.881 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.524 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 1.8 t80 -83.76 60.35 5.71 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.324 -0.86 . . . . 0.0 110.298 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.936 -1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.16 0.505 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.426 ' O ' ' O ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER 58.26 161.04 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.219 -0.925 . . . . 0.0 109.761 -179.791 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.44 96.6 2.8 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.169 -0.957 . . . . 0.0 110.405 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.2 mt -83.74 6.23 21.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.405 -0.809 . . . . 0.0 109.87 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -34.96 78.93 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.363 -0.835 . . . . 0.0 110.431 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.482 ' O ' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -73.98 -3.18 27.62 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.57 -0.706 . . . . 0.0 109.935 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.968 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -108.69 -15.78 14.33 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.358 -0.839 . . . . 0.0 109.994 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.4 mt -86.39 -34.28 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.464 -0.772 . . . . 0.0 110.513 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.582 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -67.95 -25.02 65.24 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.512 -0.743 . . . . 0.0 109.726 -179.805 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.749 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 12.9 t80 -76.51 -35.19 58.46 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.423 -0.798 . . . . 0.0 109.864 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.968 HD12 ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -63.18 -11.18 18.89 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.415 -0.803 . . . . 0.0 109.722 179.38 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -96.22 -51.19 4.5 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-O 121.757 0.789 . . . . 0.0 110.455 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.7 m -85.38 -24.71 27.44 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.537 -0.727 . . . . 0.0 110.702 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 10' ' ' PHE . . . -85.26 14.98 4.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.364 -0.835 . . . . 0.0 110.284 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 14' ' ' ALA . 3.8 ptmt -49.33 -179.59 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.332 -0.855 . . . . 0.0 110.396 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -78.59 155.77 29.46 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.285 -0.884 . . . . 0.0 109.764 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -127.28 -34.92 2.25 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.139 -0.975 . . . . 0.0 110.353 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 119.826 -1.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.495 1.803 0 CA-C-O 121.221 0.534 . . . . 0.0 110.077 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 11.9 p-90 -128.89 24.32 5.68 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.117 -0.989 . . . . 0.0 110.541 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 6' ' ' LYS . 3.7 tptt -89.04 34.61 0.79 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.197 -0.94 . . . . 0.0 110.008 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.469 ' O ' HG13 ' A' ' 8' ' ' ILE . 14.5 mt -86.19 2.51 46.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.222 -0.924 . . . . 0.0 110.85 -179.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.91 -21.03 57.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.957 -1.089 . . . . 0.0 110.576 -179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 3' ' ' LYS . 13.6 pttt -85.54 15.7 4.37 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.411 -0.805 . . . . 0.0 110.12 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.43 -25.37 2.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.327 -0.858 . . . . 0.0 110.731 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 4' ' ' LEU . 41.4 mt -81.76 -23.45 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.304 -0.873 . . . . 0.0 109.72 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.568 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -76.97 -28.21 55.05 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.945 0.879 . . . . 0.0 108.744 179.156 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.568 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -80.57 -15.92 55.46 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.461 0.648 . . . . 0.0 109.662 179.806 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.51 ' HA ' HD23 ' A' ' 11' ' ' LEU . 4.9 mt -80.84 -7.74 59.52 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.352 -0.843 . . . . 0.0 110.29 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.492 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -111.16 -25.45 9.72 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.868 0.842 . . . . 0.0 109.778 179.553 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.71 -16.74 38.01 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 121.57 0.7 . . . . 0.0 109.54 179.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.47 -19.98 28.79 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.675 -0.641 . . . . 0.0 111.107 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -76.67 166.55 23.22 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.227 -0.921 . . . . 0.0 110.365 -179.559 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 5.6 pttp -52.44 144.37 13.43 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.229 -0.92 . . . . 0.0 110.325 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -112.77 -55.36 2.53 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.288 -0.882 . . . . 0.0 110.271 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.777 -1.827 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 121.226 0.536 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -139.17 121.54 16.03 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.221 -0.924 . . . . 0.0 110.239 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.25 122.45 4.12 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.195 -0.941 . . . . 0.0 110.523 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.4 mt -84.05 11.05 8.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.272 -0.892 . . . . 0.0 109.803 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.36 -56.15 8.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.486 -0.759 . . . . 0.0 111.01 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.3 -8.94 36.07 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.597 -0.689 . . . . 0.0 110.592 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -96.39 -15.45 21.81 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.222 -0.924 . . . . 0.0 110.085 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 11' ' ' LEU . 63.6 mt -73.87 -63.26 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 CA-C-O 121.862 0.839 . . . . 0.0 109.431 179.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.58 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -47.85 -27.77 2.26 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-O 121.545 0.688 . . . . 0.0 110.469 179.625 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.58 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 40.2 t80 -81.93 -18.48 43.45 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.485 -0.76 . . . . 0.0 109.985 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 11' ' ' LEU . 6.1 mt -86.2 0.63 53.23 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.624 -0.672 . . . . 0.0 109.952 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.409 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 1.5 m-70 -107.91 -31.24 8.08 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-O 121.842 0.83 . . . . 0.0 110.181 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 t -85.89 -42.88 13.71 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-O 121.515 0.674 . . . . 0.0 111.059 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.71 -18.02 27.77 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.465 -0.772 . . . . 0.0 110.083 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.33 -23.43 26.24 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 121.58 0.705 . . . . 0.0 110.487 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 12' ' ' HIS . 29.0 mttm -86.34 -18.77 31.03 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.512 -0.742 . . . . 0.0 110.528 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -145.62 -112.66 0.09 Allowed 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.467 -0.771 . . . . 0.0 110.032 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.278 0 O-C-N 119.575 -1.953 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.196 0.522 . . . . 0.0 110.189 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -82.28 -141.28 0.05 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.175 -0.953 . . . . 0.0 109.958 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.92 125.6 13.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.186 -0.946 . . . . 0.0 110.238 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mt -84.38 13.06 5.78 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.207 -0.933 . . . . 0.0 110.172 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.62 -18.23 58.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.252 -0.905 . . . . 0.0 110.353 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -85.54 -3.28 58.82 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.394 -0.816 . . . . 0.0 109.911 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -111.81 -15.07 13.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.353 -0.842 . . . . 0.0 109.918 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.463 ' HA ' ' HB2' ' A' ' 11' ' ' LEU . 22.6 mm -79.79 -41.82 22.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 CA-C-O 121.846 0.831 . . . . 0.0 109.499 179.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.532 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.12 -34.86 75.65 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 121.568 0.699 . . . . 0.0 109.727 179.532 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.532 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -83.4 -21.24 33.08 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.847 0.832 . . . . 0.0 109.109 178.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.463 ' HB2' ' HA ' ' A' ' 8' ' ' ILE . 6.1 mt -72.28 -15.7 61.9 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.613 0.721 . . . . 0.0 109.741 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -92.3 -32.73 14.9 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.88 0.848 . . . . 0.0 109.321 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.16 -3.55 58.98 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.77 -0.581 . . . . 0.0 110.187 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.07 -33.52 44.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.376 -0.828 . . . . 0.0 110.278 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -83.2 179.84 7.61 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.569 -0.707 . . . . 0.0 109.669 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -53.67 98.7 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.179 -0.95 . . . . 0.0 110.116 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -113.83 -54.8 2.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.36 -0.837 . . . . 0.0 110.206 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.294 0.568 . . . . 0.0 110.049 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -118.77 10.67 12.46 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.202 -0.936 . . . . 0.0 110.75 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -103.18 -71.27 0.73 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.181 -0.949 . . . . 0.0 110.387 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.444 ' O ' HG13 ' A' ' 8' ' ' ILE . 1.4 mt -57.37 -14.56 4.84 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.575 -0.703 . . . . 0.0 109.969 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.95 -27.84 33.65 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.535 -0.728 . . . . 0.0 110.831 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.76 -12.71 58.45 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.55 -0.719 . . . . 0.0 110.654 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -100.1 -12.63 19.5 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.868 . . . . 0.0 110.021 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 4' ' ' LEU . 71.0 mt -85.96 -26.73 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.324 -0.86 . . . . 0.0 109.858 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.547 ' HD2' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -68.78 -49.57 57.56 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-O 121.84 0.829 . . . . 0.0 108.997 179.289 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.647 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -59.16 -26.07 64.44 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-O 121.788 0.804 . . . . 0.0 109.267 179.594 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.7 mt -86.66 3.33 45.11 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.193 0.521 . . . . 0.0 110.386 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -117.27 -43.89 2.81 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.233 -0.917 . . . . 0.0 110.598 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.33 -22.05 28.67 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-O 121.383 0.611 . . . . 0.0 110.631 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 10' ' ' PHE . . . -85.45 0.91 50.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.317 -0.865 . . . . 0.0 110.471 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -54.22 -18.96 4.41 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.3 -0.875 . . . . 0.0 110.745 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.35 -0.34 55.69 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.254 -0.904 . . . . 0.0 110.577 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -80.33 141.01 35.85 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.093 -1.005 . . . . 0.0 110.255 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.857 -1.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 3' ' ' LYS . 2.7 tttp . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.173 0.511 . . . . 0.0 110.084 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.472 ' CB ' ' O ' ' A' ' 1' ' ' LYS . 3.0 t-105 66.81 -60.32 0.35 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.253 -0.905 . . . . 0.0 110.071 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' A' ' 1' ' ' LYS . 21.3 mtpt -68.48 -166.26 0.07 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.267 -0.896 . . . . 0.0 110.253 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.2 mt -82.11 8.38 11.0 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.184 -0.948 . . . . 0.0 110.042 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -73.05 -5.5 39.33 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.243 -0.911 . . . . 0.0 110.007 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -85.38 -4.46 59.17 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.392 -0.818 . . . . 0.0 110.246 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -101.4 -22.16 14.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.307 -0.871 . . . . 0.0 110.257 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.8 mt -85.43 -15.24 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.526 -0.734 . . . . 0.0 109.999 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.569 ' HE3' ' CE2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -74.53 -42.17 59.33 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.513 -0.742 . . . . 0.0 109.774 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.569 ' CE2' ' HE3' ' A' ' 9' ' ' LYS . 1.2 m-85 -76.94 -16.44 59.36 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.803 0.811 . . . . 0.0 109.601 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 11' ' ' LEU . 54.7 mt -86.7 -2.3 58.42 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.709 -0.619 . . . . 0.0 110.407 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.36 -28.96 10.04 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.279 -0.888 . . . . 0.0 109.709 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.6 m -86.08 -26.31 25.37 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-O 121.54 0.686 . . . . 0.0 110.015 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.07 -13.22 61.9 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.569 -0.707 . . . . 0.0 110.26 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 14.3 tttt -73.01 -8.13 54.33 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.541 -0.724 . . . . 0.0 109.904 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -64.28 -167.04 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.531 -0.73 . . . . 0.0 110.47 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.585 ' O ' ' CG ' ' A' ' 17' ' ' PHE . 66.9 t80 -130.47 36.68 3.93 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.392 -0.817 . . . . 0.0 110.008 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.828 -1.795 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.379 0.609 . . . . 0.0 110.094 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.649 ' N ' ' CD1' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -48.87 98.95 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.251 -0.905 . . . . 0.0 110.797 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.03 11.91 1.23 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.189 -0.944 . . . . 0.0 110.521 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.09 1.86 45.93 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.222 -0.924 . . . . 0.0 110.255 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 5' ' ' PHE . 15.6 t80 -50.84 -49.68 58.29 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.284 -0.885 . . . . 0.0 110.214 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -59.71 -14.94 16.31 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-O 121.585 0.707 . . . . 0.0 109.934 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.87 -16.61 23.89 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.508 -0.745 . . . . 0.0 109.994 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.498 ' HA ' HD12 ' A' ' 11' ' ' LEU . 41.1 mt -70.95 -32.57 48.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 CA-C-O 121.889 0.852 . . . . 0.0 108.919 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.537 ' CD ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -69.0 -47.59 65.15 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.844 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -10.84 40.4 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-O 121.448 0.642 . . . . 0.0 109.384 178.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 8' ' ' ILE . 10.4 mt -82.81 -8.64 59.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.4 -0.812 . . . . 0.0 110.406 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.58 -28.93 9.47 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.879 0.847 . . . . 0.0 109.123 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.32 -13.6 49.11 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.645 0.736 . . . . 0.0 109.391 178.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.22 -19.6 31.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.492 -0.755 . . . . 0.0 110.215 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.498 ' CG ' ' N ' ' A' ' 16' ' ' LYS . 9.3 pttm -57.67 -40.06 78.51 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 121.882 0.848 . . . . 0.0 109.569 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.498 ' N ' ' CG ' ' A' ' 15' ' ' LYS . 40.7 pttt -85.62 143.23 28.56 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -87.99 165.03 15.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.105 -0.997 . . . . 0.0 110.428 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.99 -1.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.109 0.48 . . . . 0.0 110.182 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 15.9 t90 -165.24 -102.31 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.152 -0.967 . . . . 0.0 110.52 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -149.86 15.06 0.84 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.781 -1.199 . . . . 0.0 110.476 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -85.26 15.36 4.35 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.171 -0.955 . . . . 0.0 110.158 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.693 ' HA ' HD12 ' A' ' 8' ' ' ILE . 1.6 p90 -57.41 -27.4 62.34 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.39 -0.819 . . . . 0.0 110.407 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -79.81 -1.05 37.11 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.551 -0.718 . . . . 0.0 109.81 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -101.42 -17.76 16.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.44 -0.787 . . . . 0.0 109.224 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.693 HD12 ' HA ' ' A' ' 5' ' ' PHE . 29.9 mt -85.74 -39.49 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 CA-C-O 121.861 0.838 . . . . 0.0 109.866 179.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.595 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -57.97 -28.16 64.1 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.246 0.546 . . . . 0.0 110.783 -179.52 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.595 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 85.7 t80 -89.86 -37.26 14.57 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.345 -0.847 . . . . 0.0 109.694 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.4 mt -75.0 -4.66 39.63 Favored 'General case' 0 C--N 1.293 -1.871 0 CA-C-O 121.568 0.699 . . . . 0.0 109.251 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 3.2 m170 -103.0 -30.88 10.5 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-O 121.802 0.81 . . . . 0.0 109.703 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.2 p -85.59 -19.2 31.4 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-O 121.39 0.614 . . . . 0.0 110.569 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.08 -37.91 23.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.394 -0.816 . . . . 0.0 110.146 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -84.46 163.55 19.39 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.599 -0.688 . . . . 0.0 109.738 179.613 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 15' ' ' LYS . 27.3 mtmt -61.2 -144.36 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.148 -0.97 . . . . 0.0 110.233 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -72.2 100.27 2.54 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.161 -0.962 . . . . 0.0 110.191 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.285 0 O-C-N 119.772 -1.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.3 mttm . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.263 0.554 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -133.27 87.58 2.41 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.278 -0.888 . . . . 0.0 109.76 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.07 9.1 6.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.177 -0.952 . . . . 0.0 110.554 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.413 HD12 HD11 ' A' ' 8' ' ' ILE . 0.6 OUTLIER -84.04 13.2 5.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.117 -0.989 . . . . 0.0 110.169 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -69.36 -24.37 63.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.257 -0.902 . . . . 0.0 110.268 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -70.96 -5.71 33.08 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.418 -0.801 . . . . 0.0 110.474 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.455 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -109.5 -5.59 15.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.24 -0.913 . . . . 0.0 109.76 179.323 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.425 ' HA ' HD12 ' A' ' 11' ' ' LEU . 39.0 mm -80.44 -49.9 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.288 -0.882 . . . . 0.0 109.318 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.546 ' CD ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.64 -26.87 68.27 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-O 121.924 0.869 . . . . 0.0 108.74 179.206 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.546 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -75.83 -20.61 58.02 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 121.856 0.836 . . . . 0.0 109.365 179.434 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 7' ' ' LYS . 16.4 mt -85.39 2.76 43.01 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.443 0.64 . . . . 0.0 110.195 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.54 -29.64 8.66 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.304 -0.872 . . . . 0.0 109.027 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.82 -21.18 28.23 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 121.586 0.708 . . . . 0.0 109.511 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.18 -60.15 3.05 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.823 0.821 . . . . 0.0 109.684 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -69.51 -145.46 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.853 -0.53 . . . . 0.0 109.708 179.519 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -47.21 175.1 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.083 -1.011 . . . . 0.0 110.107 179.713 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -66.89 -50.16 63.34 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.168 -0.957 . . . . 0.0 110.134 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.882 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_