data_1kz0_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 1kz0 _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 ' 1' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 121.433 0.635 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.528 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 19.8 mm100 -126.86 -152.6 0.52 Allowed 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.939 0.876 . . . . 0.0 111.111 -177.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.777 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 69.32 37.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 CA-C-O 121.819 0.819 . . . . 0.0 110.17 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.469 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.18 -48.13 2.83 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.412 -1.43 . . . . 0.0 107.434 177.193 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.535 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -121.51 -12.28 8.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.724 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.777 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.17 -98.3 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.383 0.611 . . . . 0.0 112.362 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.792 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.86 -9.37 0.79 Allowed 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.274 -0.891 . . . . 0.0 109.37 179.332 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.658 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -72.31 -35.74 68.73 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 176.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.677 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.41 -22.34 59.21 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 122.094 0.949 . . . . 0.0 108.498 178.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.707 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.4 ptm180 -93.13 -15.61 25.83 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 176.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.792 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -81.47 -45.41 16.04 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 177.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.677 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 6.6 ptm -50.74 -30.28 13.56 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 122.413 1.101 . . . . 0.0 108.207 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -78.59 45.39 0.58 Allowed 'General case' 0 N--CA 1.493 1.675 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.563 178.702 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.646 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -113.4 -165.33 0.99 Allowed 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 122.825 1.298 . . . . 0.0 114.105 -176.338 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.649 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.16 13.44 7.21 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.109 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.543 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 26.2 mmmt . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.839 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.351 0.596 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.513 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 23.5 mm100 -130.0 -156.51 0.76 Allowed 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 122.057 0.932 . . . . 0.0 111.616 -177.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.78 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 69.56 38.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 CA-C-O 121.897 0.856 . . . . 0.0 110.238 -178.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.476 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.25 -47.43 2.76 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.369 -1.457 . . . . 0.0 107.434 177.134 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.535 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -122.34 -12.0 7.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.742 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.78 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.01 -99.0 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.34 0.59 . . . . 0.0 112.406 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.797 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.14 -9.87 0.73 Allowed 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.308 -0.87 . . . . 0.0 109.282 179.367 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.65 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.93 -35.46 69.63 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 105.391 -2.078 . . . . 0.0 105.391 176.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.684 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.7 -22.89 58.6 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 122.007 0.908 . . . . 0.0 108.563 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.711 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -92.38 -15.49 27.2 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 176.155 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.797 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -81.68 -45.44 15.74 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.684 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 11.8 ptm -51.59 -29.95 19.3 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 122.455 1.121 . . . . 0.0 108.362 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -78.89 43.55 0.51 Allowed 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.875 178.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.605 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -111.99 -161.51 0.76 Allowed 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 122.533 1.159 . . . . 0.0 113.47 -176.86 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.652 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.69 -10.35 8.32 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.773 -179.488 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.562 ' HD2' ' CZ3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.651 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.699 0.762 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.536 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 11.3 mm100 -114.69 -146.56 0.41 Allowed 'General case' 0 C--N 1.3 -1.579 0 CA-C-O 121.806 0.812 . . . . 0.0 110.926 -178.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.794 ' HA ' ' CG ' ' A' ' 6' ' ' TRP . 1.1 mp 70.06 36.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 CA-C-O 121.839 0.828 . . . . 0.0 109.964 -178.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.463 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -114.74 -47.76 2.88 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.508 -1.37 . . . . 0.0 107.45 177.122 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.542 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -122.12 -12.01 8.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.593 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.794 ' CG ' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.16 -99.0 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 121.385 0.612 . . . . 0.0 112.287 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.801 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.16 -9.87 0.73 Allowed 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.33 -0.856 . . . . 0.0 109.374 179.411 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.669 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.81 -35.25 69.89 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 176.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.681 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.97 -22.8 58.33 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 122.126 0.965 . . . . 0.0 108.567 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.689 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 2.1 ptm180 -92.6 -15.37 26.97 Favored 'General case' 0 C--N 1.29 -2.012 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 176.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.801 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.8 ttm180 -81.77 -45.89 14.98 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 177.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.681 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 11.6 ptm -50.59 -30.5 13.41 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 122.461 1.124 . . . . 0.0 108.207 179.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.21 45.16 0.62 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.539 178.679 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.641 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -111.68 -161.27 0.75 Allowed 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 122.551 1.167 . . . . 0.0 113.515 -176.601 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.645 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -121.74 -0.81 9.57 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.359 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.5 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.689 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 121.408 0.623 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.501 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 27.7 mm100 -132.87 -162.65 1.26 Allowed 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 122.214 1.007 . . . . 0.0 111.828 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.775 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 68.06 39.74 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.404 -178.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.477 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.44 -47.88 2.72 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.363 -1.461 . . . . 0.0 107.401 177.124 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.537 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -121.72 -11.84 8.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.674 178.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.775 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.34 -98.88 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.352 0.596 . . . . 0.0 112.328 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.787 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.47 -9.79 0.79 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.262 -0.899 . . . . 0.0 109.252 179.318 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.643 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.86 -35.29 69.77 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 176.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.676 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.6 m-80 -74.64 -22.52 58.87 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 122.063 0.935 . . . . 0.0 108.543 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.703 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -93.0 -15.21 26.45 Favored 'General case' 0 C--N 1.289 -2.058 0 N-CA-C 105.608 -1.997 . . . . 0.0 105.608 176.247 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.787 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -82.11 -45.38 15.27 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 177.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.676 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 10.3 ptm -51.03 -30.27 14.94 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 122.471 1.129 . . . . 0.0 108.263 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -78.26 44.76 0.51 Allowed 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.632 178.699 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.641 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -113.22 -164.99 0.96 Allowed 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 122.851 1.31 . . . . 0.0 113.977 -176.424 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.654 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.66 11.06 6.69 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 114.398 -1.273 . . . . 0.0 109.303 -179.764 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.549 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 26.6 mmmt . . . . . 0 N--CA 1.497 1.918 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.868 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.479 0.656 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.516 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 22.6 mm100 -127.55 -158.47 0.87 Allowed 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 122.052 0.929 . . . . 0.0 111.472 -177.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.775 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 68.82 39.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 CA-C-O 121.794 0.806 . . . . 0.0 110.138 -178.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.475 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.88 -47.76 2.78 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.411 -1.431 . . . . 0.0 107.453 177.152 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.535 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -121.93 -12.35 8.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.738 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.775 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.85 -98.83 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 121.341 0.591 . . . . 0.0 112.419 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.794 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.24 -9.9 0.76 Allowed 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.336 -0.853 . . . . 0.0 109.346 179.33 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.649 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.81 -35.55 69.99 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 176.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.681 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.58 -22.8 58.78 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 178.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.707 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -92.57 -15.4 26.98 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 176.169 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.794 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -81.85 -45.37 15.61 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 177.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.681 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 18.5 ptm -51.31 -30.08 17.06 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 122.437 1.113 . . . . 0.0 108.266 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.69 45.16 0.67 Allowed 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.726 178.758 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.61 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.4 -162.38 0.79 Allowed 'General case' 0 C--N 1.305 -1.352 0 CA-C-O 122.572 1.177 . . . . 0.0 113.57 -176.67 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.647 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.01 -2.7 8.65 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.687 -179.553 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.515 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.751 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.44 0.638 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.523 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.7 mm100 -127.18 -157.08 0.79 Allowed 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 122.054 0.93 . . . . 0.0 111.595 -177.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.778 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 69.36 39.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 CA-C-O 121.841 0.829 . . . . 0.0 110.209 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.474 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.99 -47.85 2.76 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.465 -1.397 . . . . 0.0 107.379 177.247 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.539 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -122.36 -12.14 7.75 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.683 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.778 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.79 -99.08 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 121.343 0.592 . . . . 0.0 112.451 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.803 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.08 -9.98 0.73 Allowed 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.365 -0.834 . . . . 0.0 109.327 179.36 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.65 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.66 -35.6 70.4 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 105.423 -2.066 . . . . 0.0 105.423 176.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.708 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.75 -24.57 58.73 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.686 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -90.14 -15.05 32.36 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 176.016 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.803 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.1 ttm180 -82.66 -46.65 12.98 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.708 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 25.5 ptm -50.97 -33.66 25.62 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 107.786 -1.191 . . . . 0.0 107.786 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.597 ' HE3' ' CG ' ' A' ' 12' ' ' MET . 2.2 mmtp -68.75 39.36 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.917 177.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.677 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -111.58 -162.9 0.82 Allowed 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.714 -1.241 . . . . 0.0 113.776 -176.302 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.657 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.48 -2.77 8.42 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.807 -179.345 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.512 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 117.932 -1.033 . . . . 0.0 110.712 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.339 0.59 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.507 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 23.1 mm100 -127.09 -160.26 0.99 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 122.135 0.969 . . . . 0.0 111.787 -177.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.782 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 69.37 39.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.185 -178.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.471 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.11 -47.86 2.75 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.442 -1.411 . . . . 0.0 107.366 177.226 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.536 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -122.74 -11.69 7.57 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.593 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.782 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.82 -99.18 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.304 0.573 . . . . 0.0 112.415 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.802 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -55.82 -10.62 0.78 Allowed 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.32 -0.863 . . . . 0.0 109.374 179.371 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.646 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -70.86 -35.72 72.51 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 176.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.729 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.38 -24.36 59.13 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 177.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.689 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -91.0 -13.72 32.79 Favored 'General case' 0 C--N 1.289 -2.063 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 176.197 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.802 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.1 ttm180 -83.75 -44.88 13.96 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.729 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 25.2 ptt? -52.5 -28.77 21.83 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 122.389 1.09 . . . . 0.0 108.357 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -80.61 45.36 0.78 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.793 178.548 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.592 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -111.87 -162.26 0.79 Allowed 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 122.566 1.174 . . . . 0.0 113.403 -176.851 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.646 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.74 -5.96 8.58 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.787 -179.408 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.52 ' HD2' ' CZ3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.674 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.349 0.595 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.522 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 21.0 mm100 -125.57 -156.43 0.73 Allowed 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 122.045 0.926 . . . . 0.0 111.484 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.78 ' HA ' ' CG ' ' A' ' 6' ' ' TRP . 1.2 mp 69.54 38.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 CA-C-O 121.81 0.814 . . . . 0.0 110.202 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.471 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.84 -47.29 2.8 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.466 -1.396 . . . . 0.0 107.396 177.201 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.536 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -122.37 -12.37 7.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.643 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.78 ' CG ' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.66 -98.72 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.392 0 CA-C-O 121.364 0.602 . . . . 0.0 112.471 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.793 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.32 -9.76 0.75 Allowed 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.322 -0.861 . . . . 0.0 109.383 179.437 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.645 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.8 -35.58 70.02 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 176.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.725 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.51 -23.54 58.85 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 122.056 0.931 . . . . 0.0 108.5 177.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.719 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.4 ptm180 -91.25 -15.17 29.62 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 176.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.793 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 4.7 ttm180 -82.27 -44.74 15.9 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 114.696 -1.138 . . . . 0.0 107.977 177.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.725 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 20.6 ptt? -52.18 -28.46 18.29 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 122.357 1.075 . . . . 0.0 108.226 179.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -80.28 45.06 0.72 Allowed 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.63 178.394 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.621 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.79 -161.92 0.77 Allowed 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.504 1.145 . . . . 0.0 113.623 -176.643 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.65 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.16 -2.29 8.63 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.625 -179.505 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.53 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.772 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.512 0.672 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.525 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 19.7 mm100 -124.68 -156.16 0.71 Allowed 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 122.037 0.922 . . . . 0.0 111.405 -177.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.779 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 68.97 38.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 CA-C-O 121.816 0.817 . . . . 0.0 110.117 -178.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.472 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.81 -47.36 2.8 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.402 -1.436 . . . . 0.0 107.437 177.184 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.541 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -121.9 -12.65 7.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.768 178.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.779 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.74 -99.15 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 121.382 0.611 . . . . 0.0 112.381 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.784 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.04 -10.43 0.81 Allowed 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.322 -0.861 . . . . 0.0 109.314 179.33 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.645 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.14 -35.29 71.65 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 105.513 -2.032 . . . . 0.0 105.513 176.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.627 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 2.8 m-80 -75.03 -22.34 58.5 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.703 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -92.7 -14.74 27.6 Favored 'General case' 0 C--N 1.286 -2.156 0 N-CA-C 105.506 -2.035 . . . . 0.0 105.506 175.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.784 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.3 ttm180 -83.61 -46.67 12.1 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 177.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.512 ' HG2' ' C ' ' A' ' 9' ' ' ASN . 8.7 ptp -51.51 -28.91 14.9 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 122.31 1.052 . . . . 0.0 108.523 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.627 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -80.98 45.1 0.8 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.672 178.685 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.611 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -110.97 -161.95 0.77 Allowed 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 122.604 1.193 . . . . 0.0 113.513 -176.663 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.641 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.01 -1.4 8.82 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.549 -179.665 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.518 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.715 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.385 0.612 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.524 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 21.8 mm100 -127.97 -156.42 0.75 Allowed 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.026 0.917 . . . . 0.0 111.449 -177.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.774 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 68.8 38.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 CA-C-O 121.725 0.774 . . . . 0.0 110.189 -178.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.472 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.73 -48.0 2.78 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.411 -1.431 . . . . 0.0 107.518 177.166 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.546 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.3 pp -121.12 -12.46 8.72 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.721 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.774 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.28 -98.57 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.392 0.615 . . . . 0.0 112.347 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.782 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.97 -9.28 0.79 Allowed 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.246 -0.908 . . . . 0.0 109.265 179.413 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.653 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -72.19 -35.43 68.96 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 176.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.684 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.63 -22.63 58.82 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 122.047 0.927 . . . . 0.0 108.573 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.731 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -92.26 -15.74 27.06 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 176.205 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.782 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.4 ttm180 -81.42 -46.26 14.86 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 177.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.684 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.6 ptm -50.58 -30.04 12.26 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-O 122.447 1.117 . . . . 0.0 108.317 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.38 44.11 0.58 Allowed 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.747 178.824 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.604 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -111.27 -162.03 0.78 Allowed 'General case' 0 C--N 1.304 -1.386 0 CA-C-O 122.535 1.159 . . . . 0.0 113.418 -176.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.646 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.32 -9.85 8.05 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.901 -179.263 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.548 ' HD2' ' CZ3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.719 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.32 0.581 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.532 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 7.0 mm100 -116.16 -138.25 0.37 Allowed 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.591 0.71 . . . . 0.0 110.968 -177.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.804 ' HA ' ' CG ' ' A' ' 6' ' ' TRP . 1.1 mp 70.45 34.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 CA-C-O 121.759 0.79 . . . . 0.0 109.936 -178.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.444 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -112.83 -46.72 3.1 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.445 -1.409 . . . . 0.0 107.56 177.177 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.539 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -122.76 -12.64 7.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.714 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.804 ' CG ' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.76 -98.49 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.408 0.623 . . . . 0.0 112.439 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.809 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.32 -9.71 0.74 Allowed 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.336 -0.852 . . . . 0.0 109.467 179.439 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.671 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.98 -35.81 69.61 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 105.29 -2.115 . . . . 0.0 105.29 176.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.734 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.58 -24.36 58.9 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.71 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -90.31 -14.51 33.02 Favored 'General case' 0 C--N 1.288 -2.078 0 N-CA-C 105.578 -2.008 . . . . 0.0 105.578 176.078 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.809 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.7 ttm180 -82.85 -45.25 14.49 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.055 178.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.734 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 24.9 ptt? -52.53 -28.46 20.74 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 122.376 1.084 . . . . 0.0 108.355 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -82.61 46.59 1.08 Allowed 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.834 178.601 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.576 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -110.89 -162.78 0.81 Allowed 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 122.67 1.224 . . . . 0.0 113.62 -176.625 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.659 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.58 -1.61 9.01 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.512 -179.583 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.508 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.767 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.718 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.446 0.641 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.53 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.3 mm100 -126.65 -154.99 0.66 Allowed 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 121.991 0.9 . . . . 0.0 111.28 -177.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.778 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 69.18 38.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 CA-C-O 121.76 0.791 . . . . 0.0 110.088 -178.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.471 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.79 -47.47 2.8 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.459 -1.4 . . . . 0.0 107.498 177.252 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.541 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -121.44 -12.41 8.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.868 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.778 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.23 -98.78 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.341 0.591 . . . . 0.0 112.382 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.778 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.62 -9.58 0.78 Allowed 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.262 -0.899 . . . . 0.0 109.265 179.304 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.645 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -72.03 -35.15 69.3 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 176.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.674 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.6 m-80 -74.42 -22.59 59.07 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 122.116 0.96 . . . . 0.0 108.615 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.706 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -93.05 -15.0 26.63 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 176.144 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.778 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -82.5 -45.24 14.95 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 177.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.674 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 14.6 ptm -50.66 -30.63 14.07 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 122.438 1.113 . . . . 0.0 108.178 178.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -77.54 45.13 0.47 Allowed 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.455 178.441 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.671 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -113.6 -164.28 0.91 Allowed 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 122.817 1.294 . . . . 0.0 114.028 -176.277 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.654 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.39 11.54 6.89 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 114.415 -1.266 . . . . 0.0 109.246 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.545 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 12.8 mmmt . . . . . 0 N--CA 1.496 1.862 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.948 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.478 0.656 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.514 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 22.0 mm100 -126.65 -158.1 0.84 Allowed 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 122.06 0.933 . . . . 0.0 111.575 -177.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.78 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 68.83 39.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 CA-C-O 121.791 0.805 . . . . 0.0 110.157 -178.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.473 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.96 -47.69 2.77 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.374 -1.454 . . . . 0.0 107.423 177.193 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.536 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -122.12 -12.17 7.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.687 178.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.78 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.88 -98.66 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.312 0.577 . . . . 0.0 112.42 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.796 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.6 -9.43 0.74 Allowed 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.36 -0.837 . . . . 0.0 109.352 179.38 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.645 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -72.21 -35.43 68.89 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 176.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.692 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.66 -22.8 58.69 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.024 0.916 . . . . 0.0 108.547 178.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.728 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 2.1 ptm180 -92.23 -15.67 27.2 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 176.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.796 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.8 ttm180 -81.47 -45.59 15.78 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 177.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.692 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 10.7 ptm -51.39 -30.02 17.66 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 122.425 1.107 . . . . 0.0 108.293 179.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.52 45.7 0.69 Allowed 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.785 178.841 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.611 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -112.84 -165.48 1.0 Allowed 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 122.758 1.266 . . . . 0.0 114.096 -176.454 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.662 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.76 12.03 6.76 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.257 -179.658 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.541 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 26.7 mmmt . . . . . 0 N--CA 1.496 1.83 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.921 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.366 0.603 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.503 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 26.2 mm100 -131.33 -159.99 1.01 Allowed 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 122.111 0.958 . . . . 0.0 111.789 -177.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.775 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 68.84 39.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.304 -178.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.476 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.08 -48.1 2.74 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.382 -1.449 . . . . 0.0 107.366 177.218 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.536 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -122.05 -11.83 8.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.741 178.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.775 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.96 -98.94 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.418 0.627 . . . . 0.0 112.352 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.788 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.18 -10.22 0.81 Allowed 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.247 -0.908 . . . . 0.0 109.253 179.379 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.652 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.51 -35.38 70.72 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 176.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.682 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.47 -22.82 58.91 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 122.058 0.932 . . . . 0.0 108.539 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.705 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -92.7 -15.08 27.14 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 176.169 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.788 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.6 ttm180 -82.29 -45.15 15.34 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 177.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.682 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.1 ptm -51.16 -30.34 16.47 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-O 122.497 1.141 . . . . 0.0 108.205 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -78.51 45.37 0.57 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.539 178.669 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.654 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -113.7 -164.91 0.96 Allowed 'General case' 0 C--N 1.305 -1.331 0 CA-C-O 122.822 1.296 . . . . 0.0 114.094 -176.396 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.66 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -128.18 13.31 6.67 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 114.376 -1.284 . . . . 0.0 109.213 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.545 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 12.6 mmmt . . . . . 0 N--CA 1.497 1.875 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.907 -179.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.358 0.599 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.506 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 25.2 mm100 -130.58 -159.56 0.97 Allowed 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 122.102 0.953 . . . . 0.0 111.708 -177.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.775 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 68.76 39.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.269 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.479 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.2 -47.96 2.74 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.453 -1.404 . . . . 0.0 107.47 177.141 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.538 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -121.98 -12.17 8.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.676 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.775 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.82 -98.89 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.406 0.622 . . . . 0.0 112.375 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.788 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.29 -10.15 0.83 Allowed 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.226 -0.921 . . . . 0.0 109.332 179.318 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.642 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.51 -35.4 70.74 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 176.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.683 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.55 -22.84 58.8 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.027 0.917 . . . . 0.0 108.538 178.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.704 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.8 ptm180 -92.65 -15.2 27.08 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 176.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.788 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -81.96 -45.44 15.38 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.683 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 27.6 ptm -51.01 -30.47 15.36 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 122.518 1.152 . . . . 0.0 108.277 178.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -78.68 45.54 0.6 Allowed 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.561 178.682 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.643 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -113.34 -165.05 0.96 Allowed 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 122.838 1.304 . . . . 0.0 114.162 -176.402 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.661 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -128.16 12.64 6.62 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.386 -1.279 . . . . 0.0 109.162 -179.786 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.547 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 13.5 mmmm . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 118.089 -0.958 . . . . 0.0 110.946 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.4 0.619 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.529 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.2 mm100 -127.33 -155.15 0.68 Allowed 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 121.995 0.902 . . . . 0.0 111.315 -177.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.776 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 68.81 38.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 CA-C-O 121.817 0.818 . . . . 0.0 110.126 -178.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.474 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.68 -47.17 2.82 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.299 -1.501 . . . . 0.0 107.595 177.068 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.542 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -121.53 -13.04 8.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.818 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.776 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.83 -98.66 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.291 0.567 . . . . 0.0 112.338 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.78 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.62 -10.15 0.92 Allowed 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.372 -0.83 . . . . 0.0 109.344 179.315 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.633 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.32 -35.26 71.16 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 176.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.678 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.63 -22.63 58.82 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 122.048 0.927 . . . . 0.0 108.57 178.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.707 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.7 ptm180 -92.97 -15.08 26.65 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 105.699 -1.963 . . . . 0.0 105.699 176.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.78 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -82.22 -45.1 15.51 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.678 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 27.4 ptm -51.47 -30.11 18.7 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 122.535 1.159 . . . . 0.0 108.273 179.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -78.4 43.95 0.49 Allowed 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.765 178.749 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.622 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -111.91 -162.04 0.78 Allowed 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.549 1.166 . . . . 0.0 113.416 -176.774 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.648 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.17 -7.75 8.25 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.841 -179.399 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.522 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.836 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 . . . . . 0 N--CA 1.494 1.763 0 CA-C-O 121.369 0.604 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.507 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 26.3 mm100 -132.09 -160.33 1.04 Allowed 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 122.175 0.988 . . . . 0.0 111.815 -177.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.776 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 68.83 39.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.205 -178.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.481 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.46 -47.94 2.72 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.466 -1.397 . . . . 0.0 107.4 177.176 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.542 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -121.23 -12.39 8.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.747 178.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.776 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.04 -98.96 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 121.43 0.633 . . . . 0.0 112.349 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.791 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.35 -9.82 0.77 Allowed 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.161 -0.962 . . . . 0.0 109.328 179.303 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.641 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.72 -35.59 70.23 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 176.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.724 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.38 -23.88 59.06 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.721 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.3 ptm180 -91.1 -14.32 31.44 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 176.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.791 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.6 ttm180 -83.29 -45.22 14.06 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 114.755 -1.111 . . . . 0.0 108.017 178.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.724 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 23.6 ptt? -51.89 -28.69 17.01 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-O 122.335 1.064 . . . . 0.0 108.303 179.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -80.9 45.63 0.83 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.719 178.435 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.612 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -112.09 -162.3 0.79 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 122.575 1.179 . . . . 0.0 113.581 -176.674 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.644 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.06 -1.52 8.77 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.635 -179.579 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.514 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.739 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.515 0.674 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.517 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.4 mm100 -125.37 -156.94 0.76 Allowed 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.999 0.904 . . . . 0.0 111.581 -177.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.777 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 69.17 38.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 CA-C-O 121.862 0.839 . . . . 0.0 110.181 -178.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.473 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.78 -48.07 2.77 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.393 -1.442 . . . . 0.0 107.445 177.237 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.539 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -121.98 -12.01 8.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.652 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.777 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.99 -98.98 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.387 0.613 . . . . 0.0 112.337 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.795 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.25 -9.87 0.76 Allowed 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.362 -0.836 . . . . 0.0 109.345 179.359 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.655 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.77 -35.47 70.07 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 176.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.684 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.63 -22.94 58.66 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 122.047 0.927 . . . . 0.0 108.515 178.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.703 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -92.42 -15.18 27.53 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 176.151 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.795 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.2 ttm180 -82.02 -45.53 15.18 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 177.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.684 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 12.4 ptm -51.1 -30.08 15.06 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 122.382 1.087 . . . . 0.0 108.233 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -80.15 45.62 0.75 Allowed 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.729 178.772 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.605 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.09 -162.19 0.78 Allowed 'General case' 0 C--N 1.304 -1.401 0 CA-C-O 122.523 1.154 . . . . 0.0 113.716 -176.609 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.648 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.42 -2.94 8.92 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.609 -179.637 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.523 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.793 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.516 0.674 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.518 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.6 mm100 -126.19 -156.84 0.76 Allowed 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 122.071 0.939 . . . . 0.0 111.538 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.777 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 69.2 38.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-O 121.777 0.799 . . . . 0.0 110.089 -178.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.472 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.93 -47.6 2.78 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.476 -1.39 . . . . 0.0 107.445 177.23 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.538 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -121.94 -12.12 8.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.745 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.777 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.16 -99.01 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.36 0.6 . . . . 0.0 112.36 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.792 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.33 -9.71 0.74 Allowed 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.289 -0.882 . . . . 0.0 109.291 179.329 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.644 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.92 -35.31 69.63 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 176.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.679 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.63 -22.67 58.79 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 122.052 0.929 . . . . 0.0 108.543 178.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.703 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -92.85 -15.0 26.98 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 105.692 -1.966 . . . . 0.0 105.692 176.2 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.792 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -82.33 -45.47 14.88 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.679 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 19.1 ptm -51.08 -30.23 15.34 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 122.451 1.12 . . . . 0.0 108.267 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.33 45.98 0.7 Allowed 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.661 178.742 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.629 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -113.15 -165.42 0.99 Allowed 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 122.829 1.299 . . . . 0.0 114.118 -176.365 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.653 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.64 13.29 6.95 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 114.399 -1.273 . . . . 0.0 109.276 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.551 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 13.4 mmmm . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.926 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.4 0.619 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.517 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 24.3 mm100 -130.04 -158.38 0.89 Allowed 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 122.147 0.975 . . . . 0.0 111.512 -177.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.776 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 68.81 39.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 CA-C-O 121.834 0.825 . . . . 0.0 110.194 -178.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.478 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.14 -47.73 2.75 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.444 -1.41 . . . . 0.0 107.424 177.143 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.538 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -121.65 -12.43 8.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.71 178.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.776 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.96 -98.96 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.425 0.631 . . . . 0.0 112.294 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.784 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.27 -10.04 0.8 Allowed 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.292 -0.88 . . . . 0.0 109.296 179.411 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.647 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.59 -35.45 70.54 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 176.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.676 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.6 -22.57 58.89 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.083 0.944 . . . . 0.0 108.528 178.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.707 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -92.84 -15.21 26.74 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 176.199 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.784 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -82.01 -45.45 15.3 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 177.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.676 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 27.3 ptm -51.06 -30.27 15.25 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 122.39 1.091 . . . . 0.0 108.203 178.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.47 45.32 0.66 Allowed 'General case' 0 N--CA 1.493 1.7 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.639 178.747 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.615 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.61 -162.43 0.8 Allowed 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 122.645 1.212 . . . . 0.0 113.632 -176.653 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.647 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.19 -0.65 8.83 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.609 -179.594 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.514 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.771 -179.503 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.437 0.637 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.519 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 24.3 mm100 -130.23 -159.59 0.97 Allowed 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 122.081 0.943 . . . . 0.0 111.499 -177.84 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.775 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 68.6 39.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.304 -178.628 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.476 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.27 -47.45 2.75 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.474 -1.391 . . . . 0.0 107.489 177.169 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.536 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -121.85 -12.36 8.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.665 178.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.775 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.1 -98.95 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 121.344 0.592 . . . . 0.0 112.35 -179.671 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.783 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.2 -9.92 0.76 Allowed 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.25 -0.906 . . . . 0.0 109.293 179.328 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.646 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.64 -35.46 70.41 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 176.232 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.676 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.54 -22.65 58.9 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 122.123 0.963 . . . . 0.0 108.557 178.073 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.708 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -92.8 -15.18 26.84 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 176.178 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.783 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -82.03 -45.52 15.19 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 177.88 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.676 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.8 ptm -50.74 -30.3 13.61 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 122.462 1.125 . . . . 0.0 108.238 178.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -78.86 44.92 0.57 Allowed 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.49 178.593 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.648 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -112.08 -161.52 0.76 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 122.655 1.217 . . . . 0.0 113.66 -176.504 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.646 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.97 -0.01 9.06 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.452 -179.762 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.501 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.664 -179.541 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.413 0.625 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.507 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 26.9 mm100 -132.16 -161.23 1.11 Allowed 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 122.189 0.995 . . . . 0.0 111.812 -177.632 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.774 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 68.39 39.92 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.271 -178.622 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.479 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.57 -47.88 2.71 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.378 -1.451 . . . . 0.0 107.389 177.195 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.543 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -121.46 -12.34 8.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.767 178.853 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.774 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.07 -99.12 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.408 0.623 . . . . 0.0 112.365 -179.616 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.781 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.24 -10.29 0.85 Allowed 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.266 -0.896 . . . . 0.0 109.216 179.286 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.639 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.21 -35.52 71.56 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 176.24 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.584 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 2.7 m-80 -74.76 -22.64 58.66 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 122.027 0.918 . . . . 0.0 108.526 178.022 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.701 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.8 ptm180 -92.33 -14.21 29.1 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 175.853 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.781 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.2 ttm180 -84.19 -45.17 13.22 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.841 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.544 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 12.6 ptp -52.41 -28.71 20.91 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-O 122.291 1.043 . . . . 0.0 108.418 179.224 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -80.43 44.99 0.73 Allowed 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.598 178.724 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.617 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.33 -161.66 0.76 Allowed 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 122.601 1.191 . . . . 0.0 113.589 -176.661 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.641 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.06 -1.41 8.79 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.611 -179.76 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.519 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.783 -179.578 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.447 0.642 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.536 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.1 mm100 -126.51 -153.87 0.59 Allowed 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.962 0.887 . . . . 0.0 111.355 -177.779 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.788 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 69.6 38.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 CA-C-O 121.733 0.778 . . . . 0.0 110.09 -178.491 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.465 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.8 -47.03 2.81 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.524 -1.36 . . . . 0.0 107.5 177.136 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.542 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -122.55 -12.56 7.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.669 178.885 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.788 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.73 -99.01 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 121.386 0.612 . . . . 0.0 112.42 -179.695 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.774 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.15 -10.3 0.82 Allowed 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.255 -0.903 . . . . 0.0 109.229 179.327 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.642 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.2 tp60 -71.16 -35.99 71.86 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 105.268 -2.123 . . . . 0.0 105.268 176.275 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.566 ' HA ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -73.82 -25.05 59.9 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.047 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.711 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -89.59 -14.02 35.93 Favored 'General case' 0 C--N 1.288 -2.08 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 175.898 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.774 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.4 ttm180 -84.43 -48.79 9.28 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 177.8 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.745 ' HG3' ' HE3' ' A' ' 13' ' ' LYS . 10.1 ptp -47.05 -33.98 5.37 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 179.208 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.745 ' HE3' ' HG3' ' A' ' 12' ' ' MET 0.267 0.1 OUTLIER -67.1 37.72 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.168 176.303 . . . . . . . . 4 4 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.661 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -112.53 -162.58 0.8 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 120.765 -1.209 . . . . 0.0 113.868 -176.207 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.661 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.68 -6.0 8.06 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.949 -179.164 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.512 ' HD2' ' CZ3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.726 -179.55 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.416 0.627 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.521 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 19.5 mm100 -125.9 -153.32 0.56 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 122.018 0.913 . . . . 0.0 111.306 -177.74 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.783 ' HA ' ' CG ' ' A' ' 6' ' ' TRP . 1.2 mp 69.62 38.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 CA-C-O 121.835 0.826 . . . . 0.0 110.145 -178.486 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.468 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.3 -47.47 2.84 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.466 -1.396 . . . . 0.0 107.462 177.249 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.536 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -122.66 -11.96 7.54 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.611 178.909 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.783 ' CG ' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.06 -98.98 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.318 0.58 . . . . 0.0 112.473 -179.674 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.795 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -55.95 -10.16 0.73 Allowed 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.353 -0.842 . . . . 0.0 109.337 179.349 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.657 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.5 -35.91 70.92 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 176.274 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.688 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.24 -23.16 59.11 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 122.029 0.919 . . . . 0.0 108.565 178.082 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.702 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -92.22 -15.42 27.55 Favored 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 176.183 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.795 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -81.67 -45.26 16.01 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 177.921 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.688 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 24.0 ptm -51.38 -30.14 17.95 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 122.466 1.127 . . . . 0.0 108.24 179.051 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -80.11 45.82 0.76 Allowed 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.702 178.775 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.603 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.3 -161.96 0.77 Allowed 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 122.522 1.153 . . . . 0.0 113.751 -176.566 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.648 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.65 -1.72 8.96 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 114.913 -1.039 . . . . 0.0 109.607 -179.708 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.526 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 117.997 -1.002 . . . . 0.0 110.655 -179.642 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.422 0.629 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.527 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 17.5 mm100 -123.79 -151.85 0.49 Allowed 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.865 0.841 . . . . 0.0 111.3 -177.747 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.786 ' HA ' ' CG ' ' A' ' 6' ' ' TRP . 1.2 mp 69.97 37.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 CA-C-O 121.78 0.8 . . . . 0.0 110.052 -178.507 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.469 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.39 -47.47 2.83 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.458 -1.401 . . . . 0.0 107.455 177.193 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.544 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -122.29 -12.42 7.7 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.693 178.873 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.786 ' CG ' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.75 -98.81 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.446 0.641 . . . . 0.0 112.437 -179.667 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.795 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.22 -10.33 0.85 Allowed 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.338 -0.851 . . . . 0.0 109.296 179.406 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.659 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.34 -35.15 71.07 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 176.276 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.63 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 2.8 m-80 -75.23 -22.54 57.81 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.016 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.706 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -92.54 -14.46 28.32 Favored 'General case' 0 C--N 1.287 -2.136 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 175.893 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.795 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.2 ttm180 -83.88 -46.47 12.1 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.868 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.501 ' HG2' ' C ' ' A' ' 9' ' ' ASN . 11.6 ptp -52.21 -28.58 18.99 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 122.229 1.014 . . . . 0.0 108.544 179.296 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -81.8 45.53 0.91 Allowed 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.74 178.729 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.591 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -110.73 -161.88 0.77 Allowed 'General case' 0 C--N 1.304 -1.386 0 CA-C-O 122.577 1.18 . . . . 0.0 113.492 -176.653 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.638 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.65 -3.3 8.78 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.674 -179.751 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.524 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.862 -179.545 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.455 0.645 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.514 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 23.7 mm100 -129.56 -159.8 0.99 Allowed 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 122.161 0.981 . . . . 0.0 111.648 -177.679 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.784 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 68.61 39.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.211 -178.633 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.476 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.09 -47.45 2.77 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.423 -1.423 . . . . 0.0 107.451 177.082 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.536 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -122.49 -12.12 7.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.687 178.914 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.784 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.8 -99.5 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.416 0.627 . . . . 0.0 112.376 -179.588 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.795 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -55.63 -10.38 0.68 Allowed 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.194 -0.941 . . . . 0.0 109.328 179.289 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.643 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.33 -35.45 71.21 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 105.529 -2.026 . . . . 0.0 105.529 176.337 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.665 ' O ' ' HG2' ' A' ' 12' ' ' MET . 3.0 m-80 -74.68 -22.58 58.8 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.045 0.926 . . . . 0.0 108.546 178.101 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.688 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.7 ptm180 -93.39 -15.36 25.75 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 105.583 -2.006 . . . . 0.0 105.583 176.257 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.795 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.8 ttm180 -81.68 -45.72 15.33 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 177.81 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.665 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.4 ptm -50.25 -30.95 12.84 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 122.495 1.14 . . . . 0.0 108.311 179.013 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -77.22 44.81 0.43 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.619 178.611 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.673 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -115.88 -166.2 1.12 Allowed 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 122.972 1.368 . . . . 0.0 114.353 -176.338 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.675 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -130.06 25.86 5.22 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 113.938 -1.483 . . . . 0.0 108.145 179.498 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HG2' ' HB3' ' A' ' 14' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.18 -178.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 121.433 0.635 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.528 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 19.8 mm100 -126.86 -152.6 0.52 Allowed 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.939 0.876 . . . . 0.0 111.111 -177.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.777 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 69.32 37.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 CA-C-O 121.819 0.819 . . . . 0.0 110.17 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.469 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.18 -48.13 2.83 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.412 -1.43 . . . . 0.0 107.434 177.193 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.535 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -121.51 -12.28 8.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.724 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.777 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.17 -98.3 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.383 0.611 . . . . 0.0 112.362 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.792 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.86 -9.37 0.79 Allowed 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.274 -0.891 . . . . 0.0 109.37 179.332 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.658 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -72.31 -35.74 68.73 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 176.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.677 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.41 -22.34 59.21 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 122.094 0.949 . . . . 0.0 108.498 178.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.707 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.4 ptm180 -93.13 -15.61 25.83 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 176.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.792 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -81.47 -45.41 16.04 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 177.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.677 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 6.6 ptm -50.74 -30.28 13.56 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 122.413 1.101 . . . . 0.0 108.207 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -78.59 45.39 0.58 Allowed 'General case' 0 N--CA 1.493 1.675 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.563 178.702 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.646 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -113.4 -165.33 0.99 Allowed 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 122.825 1.298 . . . . 0.0 114.105 -176.338 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.649 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.16 13.44 7.21 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.109 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.543 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 26.2 mmmt . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.839 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.351 0.596 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.513 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 23.5 mm100 -130.0 -156.51 0.76 Allowed 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 122.057 0.932 . . . . 0.0 111.616 -177.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.78 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 69.56 38.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 CA-C-O 121.897 0.856 . . . . 0.0 110.238 -178.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.476 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.25 -47.43 2.76 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.369 -1.457 . . . . 0.0 107.434 177.134 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.535 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -122.34 -12.0 7.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.742 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.78 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.01 -99.0 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.34 0.59 . . . . 0.0 112.406 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.797 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.14 -9.87 0.73 Allowed 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.308 -0.87 . . . . 0.0 109.282 179.367 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.65 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.93 -35.46 69.63 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 105.391 -2.078 . . . . 0.0 105.391 176.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.684 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.7 -22.89 58.6 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 122.007 0.908 . . . . 0.0 108.563 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.711 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -92.38 -15.49 27.2 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 176.155 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.797 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -81.68 -45.44 15.74 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.684 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 11.8 ptm -51.59 -29.95 19.3 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 122.455 1.121 . . . . 0.0 108.362 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -78.89 43.55 0.51 Allowed 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.875 178.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.605 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -111.99 -161.51 0.76 Allowed 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 122.533 1.159 . . . . 0.0 113.47 -176.86 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.652 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.69 -10.35 8.32 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.773 -179.488 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.562 ' HD2' ' CZ3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.651 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.699 0.762 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.536 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 11.3 mm100 -114.69 -146.56 0.41 Allowed 'General case' 0 C--N 1.3 -1.579 0 CA-C-O 121.806 0.812 . . . . 0.0 110.926 -178.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.794 ' HA ' ' CG ' ' A' ' 6' ' ' TRP . 1.1 mp 70.06 36.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 CA-C-O 121.839 0.828 . . . . 0.0 109.964 -178.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.463 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -114.74 -47.76 2.88 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.508 -1.37 . . . . 0.0 107.45 177.122 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.542 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -122.12 -12.01 8.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.593 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.794 ' CG ' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.16 -99.0 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 121.385 0.612 . . . . 0.0 112.287 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.801 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.16 -9.87 0.73 Allowed 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.33 -0.856 . . . . 0.0 109.374 179.411 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.669 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.81 -35.25 69.89 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 176.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.681 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.97 -22.8 58.33 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 122.126 0.965 . . . . 0.0 108.567 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.689 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 2.1 ptm180 -92.6 -15.37 26.97 Favored 'General case' 0 C--N 1.29 -2.012 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 176.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.801 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.8 ttm180 -81.77 -45.89 14.98 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 177.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.681 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 11.6 ptm -50.59 -30.5 13.41 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 122.461 1.124 . . . . 0.0 108.207 179.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.21 45.16 0.62 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.539 178.679 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.641 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -111.68 -161.27 0.75 Allowed 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 122.551 1.167 . . . . 0.0 113.515 -176.601 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.645 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -121.74 -0.81 9.57 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.359 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.5 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.689 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 121.408 0.623 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.501 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 27.7 mm100 -132.87 -162.65 1.26 Allowed 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 122.214 1.007 . . . . 0.0 111.828 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.775 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 68.06 39.74 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.404 -178.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.477 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.44 -47.88 2.72 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.363 -1.461 . . . . 0.0 107.401 177.124 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.537 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -121.72 -11.84 8.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.674 178.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.775 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.34 -98.88 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.352 0.596 . . . . 0.0 112.328 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.787 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.47 -9.79 0.79 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.262 -0.899 . . . . 0.0 109.252 179.318 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.643 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.86 -35.29 69.77 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 176.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.676 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.6 m-80 -74.64 -22.52 58.87 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 122.063 0.935 . . . . 0.0 108.543 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.703 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -93.0 -15.21 26.45 Favored 'General case' 0 C--N 1.289 -2.058 0 N-CA-C 105.608 -1.997 . . . . 0.0 105.608 176.247 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.787 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -82.11 -45.38 15.27 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 177.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.676 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 10.3 ptm -51.03 -30.27 14.94 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 122.471 1.129 . . . . 0.0 108.263 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -78.26 44.76 0.51 Allowed 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.632 178.699 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.641 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -113.22 -164.99 0.96 Allowed 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 122.851 1.31 . . . . 0.0 113.977 -176.424 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.654 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.66 11.06 6.69 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 114.398 -1.273 . . . . 0.0 109.303 -179.764 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.549 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 26.6 mmmt . . . . . 0 N--CA 1.497 1.918 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.868 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.479 0.656 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.516 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 22.6 mm100 -127.55 -158.47 0.87 Allowed 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 122.052 0.929 . . . . 0.0 111.472 -177.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.775 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 68.82 39.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 CA-C-O 121.794 0.806 . . . . 0.0 110.138 -178.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.475 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.88 -47.76 2.78 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.411 -1.431 . . . . 0.0 107.453 177.152 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.535 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -121.93 -12.35 8.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.738 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.775 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.85 -98.83 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 121.341 0.591 . . . . 0.0 112.419 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.794 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.24 -9.9 0.76 Allowed 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.336 -0.853 . . . . 0.0 109.346 179.33 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.649 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.81 -35.55 69.99 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 176.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.681 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.58 -22.8 58.78 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 178.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.707 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -92.57 -15.4 26.98 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 176.169 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.794 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -81.85 -45.37 15.61 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 177.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.681 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 18.5 ptm -51.31 -30.08 17.06 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 122.437 1.113 . . . . 0.0 108.266 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.69 45.16 0.67 Allowed 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.726 178.758 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.61 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.4 -162.38 0.79 Allowed 'General case' 0 C--N 1.305 -1.352 0 CA-C-O 122.572 1.177 . . . . 0.0 113.57 -176.67 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.647 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.01 -2.7 8.65 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.687 -179.553 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.515 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.751 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.44 0.638 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.523 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.7 mm100 -127.18 -157.08 0.79 Allowed 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 122.054 0.93 . . . . 0.0 111.595 -177.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.778 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 69.36 39.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 CA-C-O 121.841 0.829 . . . . 0.0 110.209 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.474 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.99 -47.85 2.76 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.465 -1.397 . . . . 0.0 107.379 177.247 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.539 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -122.36 -12.14 7.75 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.683 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.778 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.79 -99.08 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 121.343 0.592 . . . . 0.0 112.451 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.803 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.08 -9.98 0.73 Allowed 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.365 -0.834 . . . . 0.0 109.327 179.36 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.65 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.66 -35.6 70.4 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 105.423 -2.066 . . . . 0.0 105.423 176.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.708 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.75 -24.57 58.73 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.686 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -90.14 -15.05 32.36 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 176.016 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.803 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.1 ttm180 -82.66 -46.65 12.98 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.708 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 25.5 ptm -50.97 -33.66 25.62 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 107.786 -1.191 . . . . 0.0 107.786 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.597 ' HE3' ' CG ' ' A' ' 12' ' ' MET . 2.2 mmtp -68.75 39.36 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.917 177.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.677 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -111.58 -162.9 0.82 Allowed 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.714 -1.241 . . . . 0.0 113.776 -176.302 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.657 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.48 -2.77 8.42 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.807 -179.345 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.512 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 117.932 -1.033 . . . . 0.0 110.712 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.339 0.59 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.507 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 23.1 mm100 -127.09 -160.26 0.99 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 122.135 0.969 . . . . 0.0 111.787 -177.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.782 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 69.37 39.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.185 -178.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.471 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.11 -47.86 2.75 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.442 -1.411 . . . . 0.0 107.366 177.226 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.536 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -122.74 -11.69 7.57 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.593 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.782 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.82 -99.18 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.304 0.573 . . . . 0.0 112.415 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.802 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -55.82 -10.62 0.78 Allowed 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.32 -0.863 . . . . 0.0 109.374 179.371 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.646 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -70.86 -35.72 72.51 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 176.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.729 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.38 -24.36 59.13 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 177.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.689 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -91.0 -13.72 32.79 Favored 'General case' 0 C--N 1.289 -2.063 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 176.197 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.802 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.1 ttm180 -83.75 -44.88 13.96 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.729 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 25.2 ptt? -52.5 -28.77 21.83 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 122.389 1.09 . . . . 0.0 108.357 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -80.61 45.36 0.78 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.793 178.548 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.592 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -111.87 -162.26 0.79 Allowed 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 122.566 1.174 . . . . 0.0 113.403 -176.851 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.646 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.74 -5.96 8.58 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.787 -179.408 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.52 ' HD2' ' CZ3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.674 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.349 0.595 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.522 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 21.0 mm100 -125.57 -156.43 0.73 Allowed 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 122.045 0.926 . . . . 0.0 111.484 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.78 ' HA ' ' CG ' ' A' ' 6' ' ' TRP . 1.2 mp 69.54 38.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 CA-C-O 121.81 0.814 . . . . 0.0 110.202 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.471 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.84 -47.29 2.8 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.466 -1.396 . . . . 0.0 107.396 177.201 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.536 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -122.37 -12.37 7.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.643 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.78 ' CG ' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.66 -98.72 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.392 0 CA-C-O 121.364 0.602 . . . . 0.0 112.471 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.793 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.32 -9.76 0.75 Allowed 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.322 -0.861 . . . . 0.0 109.383 179.437 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.645 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.8 -35.58 70.02 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 176.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.725 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.51 -23.54 58.85 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 122.056 0.931 . . . . 0.0 108.5 177.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.719 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.4 ptm180 -91.25 -15.17 29.62 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 176.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.793 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 4.7 ttm180 -82.27 -44.74 15.9 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 114.696 -1.138 . . . . 0.0 107.977 177.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.725 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 20.6 ptt? -52.18 -28.46 18.29 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 122.357 1.075 . . . . 0.0 108.226 179.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -80.28 45.06 0.72 Allowed 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.63 178.394 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.621 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.79 -161.92 0.77 Allowed 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.504 1.145 . . . . 0.0 113.623 -176.643 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.65 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.16 -2.29 8.63 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.625 -179.505 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.53 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.772 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.512 0.672 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.525 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 19.7 mm100 -124.68 -156.16 0.71 Allowed 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 122.037 0.922 . . . . 0.0 111.405 -177.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.779 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 68.97 38.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 CA-C-O 121.816 0.817 . . . . 0.0 110.117 -178.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.472 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.81 -47.36 2.8 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.402 -1.436 . . . . 0.0 107.437 177.184 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.541 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -121.9 -12.65 7.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.768 178.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.779 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.74 -99.15 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 121.382 0.611 . . . . 0.0 112.381 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.784 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.04 -10.43 0.81 Allowed 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.322 -0.861 . . . . 0.0 109.314 179.33 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.645 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.14 -35.29 71.65 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 105.513 -2.032 . . . . 0.0 105.513 176.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.627 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 2.8 m-80 -75.03 -22.34 58.5 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.703 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -92.7 -14.74 27.6 Favored 'General case' 0 C--N 1.286 -2.156 0 N-CA-C 105.506 -2.035 . . . . 0.0 105.506 175.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.784 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.3 ttm180 -83.61 -46.67 12.1 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 177.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.512 ' HG2' ' C ' ' A' ' 9' ' ' ASN . 8.7 ptp -51.51 -28.91 14.9 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 122.31 1.052 . . . . 0.0 108.523 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.627 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -80.98 45.1 0.8 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.672 178.685 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.611 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -110.97 -161.95 0.77 Allowed 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 122.604 1.193 . . . . 0.0 113.513 -176.663 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.641 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.01 -1.4 8.82 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.549 -179.665 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.518 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.715 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.385 0.612 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.524 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 21.8 mm100 -127.97 -156.42 0.75 Allowed 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.026 0.917 . . . . 0.0 111.449 -177.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.774 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 68.8 38.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 CA-C-O 121.725 0.774 . . . . 0.0 110.189 -178.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.472 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.73 -48.0 2.78 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.411 -1.431 . . . . 0.0 107.518 177.166 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.546 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.3 pp -121.12 -12.46 8.72 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.721 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.774 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.28 -98.57 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.392 0.615 . . . . 0.0 112.347 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.782 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.97 -9.28 0.79 Allowed 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.246 -0.908 . . . . 0.0 109.265 179.413 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.653 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -72.19 -35.43 68.96 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 176.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.684 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.63 -22.63 58.82 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 122.047 0.927 . . . . 0.0 108.573 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.731 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -92.26 -15.74 27.06 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 176.205 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.782 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.4 ttm180 -81.42 -46.26 14.86 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 177.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.684 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.6 ptm -50.58 -30.04 12.26 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-O 122.447 1.117 . . . . 0.0 108.317 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.38 44.11 0.58 Allowed 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.747 178.824 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.604 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -111.27 -162.03 0.78 Allowed 'General case' 0 C--N 1.304 -1.386 0 CA-C-O 122.535 1.159 . . . . 0.0 113.418 -176.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.646 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.32 -9.85 8.05 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.901 -179.263 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.548 ' HD2' ' CZ3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.719 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.32 0.581 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.532 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 7.0 mm100 -116.16 -138.25 0.37 Allowed 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.591 0.71 . . . . 0.0 110.968 -177.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.804 ' HA ' ' CG ' ' A' ' 6' ' ' TRP . 1.1 mp 70.45 34.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 CA-C-O 121.759 0.79 . . . . 0.0 109.936 -178.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.444 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -112.83 -46.72 3.1 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.445 -1.409 . . . . 0.0 107.56 177.177 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.539 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -122.76 -12.64 7.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.714 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.804 ' CG ' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.76 -98.49 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.408 0.623 . . . . 0.0 112.439 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.809 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.32 -9.71 0.74 Allowed 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.336 -0.852 . . . . 0.0 109.467 179.439 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.671 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.98 -35.81 69.61 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 105.29 -2.115 . . . . 0.0 105.29 176.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.734 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.58 -24.36 58.9 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.71 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -90.31 -14.51 33.02 Favored 'General case' 0 C--N 1.288 -2.078 0 N-CA-C 105.578 -2.008 . . . . 0.0 105.578 176.078 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.809 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.7 ttm180 -82.85 -45.25 14.49 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.055 178.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.734 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 24.9 ptt? -52.53 -28.46 20.74 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 122.376 1.084 . . . . 0.0 108.355 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -82.61 46.59 1.08 Allowed 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.834 178.601 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.576 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -110.89 -162.78 0.81 Allowed 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 122.67 1.224 . . . . 0.0 113.62 -176.625 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.659 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.58 -1.61 9.01 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.512 -179.583 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.508 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.767 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.718 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.446 0.641 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.53 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.3 mm100 -126.65 -154.99 0.66 Allowed 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 121.991 0.9 . . . . 0.0 111.28 -177.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.778 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 69.18 38.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 CA-C-O 121.76 0.791 . . . . 0.0 110.088 -178.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.471 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.79 -47.47 2.8 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.459 -1.4 . . . . 0.0 107.498 177.252 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.541 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -121.44 -12.41 8.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.868 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.778 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.23 -98.78 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.341 0.591 . . . . 0.0 112.382 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.778 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.62 -9.58 0.78 Allowed 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.262 -0.899 . . . . 0.0 109.265 179.304 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.645 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -72.03 -35.15 69.3 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 176.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.674 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.6 m-80 -74.42 -22.59 59.07 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 122.116 0.96 . . . . 0.0 108.615 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.706 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -93.05 -15.0 26.63 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 176.144 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.778 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -82.5 -45.24 14.95 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 177.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.674 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 14.6 ptm -50.66 -30.63 14.07 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 122.438 1.113 . . . . 0.0 108.178 178.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -77.54 45.13 0.47 Allowed 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.455 178.441 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.671 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -113.6 -164.28 0.91 Allowed 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 122.817 1.294 . . . . 0.0 114.028 -176.277 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.654 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.39 11.54 6.89 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 114.415 -1.266 . . . . 0.0 109.246 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.545 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 12.8 mmmt . . . . . 0 N--CA 1.496 1.862 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.948 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.478 0.656 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.514 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 22.0 mm100 -126.65 -158.1 0.84 Allowed 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 122.06 0.933 . . . . 0.0 111.575 -177.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.78 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 68.83 39.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 CA-C-O 121.791 0.805 . . . . 0.0 110.157 -178.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.473 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.96 -47.69 2.77 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.374 -1.454 . . . . 0.0 107.423 177.193 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.536 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -122.12 -12.17 7.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.687 178.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.78 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.88 -98.66 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.312 0.577 . . . . 0.0 112.42 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.796 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.6 -9.43 0.74 Allowed 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.36 -0.837 . . . . 0.0 109.352 179.38 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.645 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -72.21 -35.43 68.89 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 176.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.692 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.66 -22.8 58.69 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.024 0.916 . . . . 0.0 108.547 178.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.728 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 2.1 ptm180 -92.23 -15.67 27.2 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 176.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.796 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.8 ttm180 -81.47 -45.59 15.78 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 177.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.692 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 10.7 ptm -51.39 -30.02 17.66 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 122.425 1.107 . . . . 0.0 108.293 179.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.52 45.7 0.69 Allowed 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.785 178.841 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.611 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -112.84 -165.48 1.0 Allowed 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 122.758 1.266 . . . . 0.0 114.096 -176.454 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.662 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.76 12.03 6.76 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.257 -179.658 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.541 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 26.7 mmmt . . . . . 0 N--CA 1.496 1.83 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.921 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.366 0.603 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.503 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 26.2 mm100 -131.33 -159.99 1.01 Allowed 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 122.111 0.958 . . . . 0.0 111.789 -177.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.775 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 68.84 39.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.304 -178.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.476 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.08 -48.1 2.74 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.382 -1.449 . . . . 0.0 107.366 177.218 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.536 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -122.05 -11.83 8.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.741 178.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.775 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.96 -98.94 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.418 0.627 . . . . 0.0 112.352 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.788 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.18 -10.22 0.81 Allowed 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.247 -0.908 . . . . 0.0 109.253 179.379 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.652 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.51 -35.38 70.72 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 176.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.682 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.47 -22.82 58.91 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 122.058 0.932 . . . . 0.0 108.539 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.705 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -92.7 -15.08 27.14 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 176.169 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.788 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.6 ttm180 -82.29 -45.15 15.34 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 177.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.682 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.1 ptm -51.16 -30.34 16.47 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-O 122.497 1.141 . . . . 0.0 108.205 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -78.51 45.37 0.57 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.539 178.669 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.654 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -113.7 -164.91 0.96 Allowed 'General case' 0 C--N 1.305 -1.331 0 CA-C-O 122.822 1.296 . . . . 0.0 114.094 -176.396 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.66 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -128.18 13.31 6.67 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 114.376 -1.284 . . . . 0.0 109.213 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.545 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 12.6 mmmt . . . . . 0 N--CA 1.497 1.875 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.907 -179.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.358 0.599 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.506 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 25.2 mm100 -130.58 -159.56 0.97 Allowed 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 122.102 0.953 . . . . 0.0 111.708 -177.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.775 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 68.76 39.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.269 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.479 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.2 -47.96 2.74 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.453 -1.404 . . . . 0.0 107.47 177.141 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.538 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -121.98 -12.17 8.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.676 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.775 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.82 -98.89 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.406 0.622 . . . . 0.0 112.375 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.788 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.29 -10.15 0.83 Allowed 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.226 -0.921 . . . . 0.0 109.332 179.318 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.642 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.51 -35.4 70.74 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 176.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.683 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.55 -22.84 58.8 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.027 0.917 . . . . 0.0 108.538 178.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.704 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.8 ptm180 -92.65 -15.2 27.08 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 176.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.788 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -81.96 -45.44 15.38 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.683 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 27.6 ptm -51.01 -30.47 15.36 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 122.518 1.152 . . . . 0.0 108.277 178.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -78.68 45.54 0.6 Allowed 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.561 178.682 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.643 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -113.34 -165.05 0.96 Allowed 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 122.838 1.304 . . . . 0.0 114.162 -176.402 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.661 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -128.16 12.64 6.62 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.386 -1.279 . . . . 0.0 109.162 -179.786 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.547 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 13.5 mmmm . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 118.089 -0.958 . . . . 0.0 110.946 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.4 0.619 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.529 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.2 mm100 -127.33 -155.15 0.68 Allowed 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 121.995 0.902 . . . . 0.0 111.315 -177.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.776 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 68.81 38.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 CA-C-O 121.817 0.818 . . . . 0.0 110.126 -178.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.474 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.68 -47.17 2.82 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.299 -1.501 . . . . 0.0 107.595 177.068 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.542 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -121.53 -13.04 8.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.818 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.776 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.83 -98.66 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.291 0.567 . . . . 0.0 112.338 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.78 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.62 -10.15 0.92 Allowed 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.372 -0.83 . . . . 0.0 109.344 179.315 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.633 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.32 -35.26 71.16 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 176.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.678 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.63 -22.63 58.82 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 122.048 0.927 . . . . 0.0 108.57 178.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.707 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.7 ptm180 -92.97 -15.08 26.65 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 105.699 -1.963 . . . . 0.0 105.699 176.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.78 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -82.22 -45.1 15.51 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.678 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 27.4 ptm -51.47 -30.11 18.7 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 122.535 1.159 . . . . 0.0 108.273 179.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -78.4 43.95 0.49 Allowed 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.765 178.749 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.622 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -111.91 -162.04 0.78 Allowed 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.549 1.166 . . . . 0.0 113.416 -176.774 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.648 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.17 -7.75 8.25 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.841 -179.399 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.522 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.836 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 . . . . . 0 N--CA 1.494 1.763 0 CA-C-O 121.369 0.604 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.507 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 26.3 mm100 -132.09 -160.33 1.04 Allowed 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 122.175 0.988 . . . . 0.0 111.815 -177.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.776 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 68.83 39.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.205 -178.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.481 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.46 -47.94 2.72 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.466 -1.397 . . . . 0.0 107.4 177.176 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.542 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -121.23 -12.39 8.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.747 178.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.776 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.04 -98.96 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 121.43 0.633 . . . . 0.0 112.349 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.791 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.35 -9.82 0.77 Allowed 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.161 -0.962 . . . . 0.0 109.328 179.303 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.641 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.72 -35.59 70.23 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 176.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.724 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.38 -23.88 59.06 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.721 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.3 ptm180 -91.1 -14.32 31.44 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 176.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.791 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.6 ttm180 -83.29 -45.22 14.06 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 114.755 -1.111 . . . . 0.0 108.017 178.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.724 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 23.6 ptt? -51.89 -28.69 17.01 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-O 122.335 1.064 . . . . 0.0 108.303 179.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -80.9 45.63 0.83 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.719 178.435 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.612 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -112.09 -162.3 0.79 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 122.575 1.179 . . . . 0.0 113.581 -176.674 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.644 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.06 -1.52 8.77 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.635 -179.579 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.514 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.739 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.515 0.674 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.517 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.4 mm100 -125.37 -156.94 0.76 Allowed 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.999 0.904 . . . . 0.0 111.581 -177.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.777 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 69.17 38.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 CA-C-O 121.862 0.839 . . . . 0.0 110.181 -178.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.473 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.78 -48.07 2.77 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.393 -1.442 . . . . 0.0 107.445 177.237 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.539 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -121.98 -12.01 8.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.652 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.777 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.99 -98.98 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.387 0.613 . . . . 0.0 112.337 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.795 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.25 -9.87 0.76 Allowed 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.362 -0.836 . . . . 0.0 109.345 179.359 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.655 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.77 -35.47 70.07 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 176.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.684 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.63 -22.94 58.66 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 122.047 0.927 . . . . 0.0 108.515 178.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.703 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -92.42 -15.18 27.53 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 176.151 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.795 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.2 ttm180 -82.02 -45.53 15.18 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 177.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.684 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 12.4 ptm -51.1 -30.08 15.06 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 122.382 1.087 . . . . 0.0 108.233 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -80.15 45.62 0.75 Allowed 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.729 178.772 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.605 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.09 -162.19 0.78 Allowed 'General case' 0 C--N 1.304 -1.401 0 CA-C-O 122.523 1.154 . . . . 0.0 113.716 -176.609 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.648 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.42 -2.94 8.92 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.609 -179.637 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.523 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.793 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.516 0.674 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.518 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.6 mm100 -126.19 -156.84 0.76 Allowed 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 122.071 0.939 . . . . 0.0 111.538 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.777 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 69.2 38.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-O 121.777 0.799 . . . . 0.0 110.089 -178.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.472 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.93 -47.6 2.78 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.476 -1.39 . . . . 0.0 107.445 177.23 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.538 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -121.94 -12.12 8.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.745 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.777 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.16 -99.01 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.36 0.6 . . . . 0.0 112.36 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.792 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.33 -9.71 0.74 Allowed 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.289 -0.882 . . . . 0.0 109.291 179.329 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.644 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.92 -35.31 69.63 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 176.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.679 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.63 -22.67 58.79 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 122.052 0.929 . . . . 0.0 108.543 178.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.703 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -92.85 -15.0 26.98 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 105.692 -1.966 . . . . 0.0 105.692 176.2 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.792 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -82.33 -45.47 14.88 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.679 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 19.1 ptm -51.08 -30.23 15.34 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 122.451 1.12 . . . . 0.0 108.267 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.33 45.98 0.7 Allowed 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.661 178.742 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.629 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -113.15 -165.42 0.99 Allowed 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 122.829 1.299 . . . . 0.0 114.118 -176.365 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.653 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.64 13.29 6.95 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 114.399 -1.273 . . . . 0.0 109.276 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.551 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 13.4 mmmm . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.926 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.4 0.619 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.517 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 24.3 mm100 -130.04 -158.38 0.89 Allowed 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 122.147 0.975 . . . . 0.0 111.512 -177.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.776 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 68.81 39.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 CA-C-O 121.834 0.825 . . . . 0.0 110.194 -178.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.478 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.14 -47.73 2.75 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.444 -1.41 . . . . 0.0 107.424 177.143 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.538 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -121.65 -12.43 8.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.71 178.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.776 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.96 -98.96 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.425 0.631 . . . . 0.0 112.294 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.784 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.27 -10.04 0.8 Allowed 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.292 -0.88 . . . . 0.0 109.296 179.411 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.647 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.59 -35.45 70.54 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 176.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.676 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.6 -22.57 58.89 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.083 0.944 . . . . 0.0 108.528 178.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.707 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -92.84 -15.21 26.74 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 176.199 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.784 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -82.01 -45.45 15.3 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 177.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.676 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 27.3 ptm -51.06 -30.27 15.25 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 122.39 1.091 . . . . 0.0 108.203 178.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.47 45.32 0.66 Allowed 'General case' 0 N--CA 1.493 1.7 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.639 178.747 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.615 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.61 -162.43 0.8 Allowed 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 122.645 1.212 . . . . 0.0 113.632 -176.653 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.647 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.19 -0.65 8.83 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.609 -179.594 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.514 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.771 -179.503 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.437 0.637 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.519 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 24.3 mm100 -130.23 -159.59 0.97 Allowed 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 122.081 0.943 . . . . 0.0 111.499 -177.84 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.775 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 68.6 39.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.304 -178.628 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.476 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.27 -47.45 2.75 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.474 -1.391 . . . . 0.0 107.489 177.169 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.536 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -121.85 -12.36 8.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.665 178.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.775 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.1 -98.95 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 121.344 0.592 . . . . 0.0 112.35 -179.671 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.783 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.2 -9.92 0.76 Allowed 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.25 -0.906 . . . . 0.0 109.293 179.328 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.646 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.64 -35.46 70.41 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 176.232 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.676 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.54 -22.65 58.9 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 122.123 0.963 . . . . 0.0 108.557 178.073 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.708 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -92.8 -15.18 26.84 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 176.178 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.783 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -82.03 -45.52 15.19 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 177.88 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.676 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.8 ptm -50.74 -30.3 13.61 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 122.462 1.125 . . . . 0.0 108.238 178.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -78.86 44.92 0.57 Allowed 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.49 178.593 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.648 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -112.08 -161.52 0.76 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 122.655 1.217 . . . . 0.0 113.66 -176.504 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.646 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.97 -0.01 9.06 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.452 -179.762 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.501 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.664 -179.541 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.413 0.625 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.507 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 26.9 mm100 -132.16 -161.23 1.11 Allowed 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 122.189 0.995 . . . . 0.0 111.812 -177.632 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.774 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 68.39 39.92 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.271 -178.622 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.479 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.57 -47.88 2.71 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.378 -1.451 . . . . 0.0 107.389 177.195 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.543 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -121.46 -12.34 8.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.767 178.853 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.774 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.07 -99.12 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.408 0.623 . . . . 0.0 112.365 -179.616 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.781 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.24 -10.29 0.85 Allowed 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.266 -0.896 . . . . 0.0 109.216 179.286 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.639 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.21 -35.52 71.56 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 176.24 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.584 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 2.7 m-80 -74.76 -22.64 58.66 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 122.027 0.918 . . . . 0.0 108.526 178.022 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.701 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.8 ptm180 -92.33 -14.21 29.1 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 175.853 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.781 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.2 ttm180 -84.19 -45.17 13.22 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.841 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.544 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 12.6 ptp -52.41 -28.71 20.91 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-O 122.291 1.043 . . . . 0.0 108.418 179.224 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -80.43 44.99 0.73 Allowed 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.598 178.724 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.617 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.33 -161.66 0.76 Allowed 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 122.601 1.191 . . . . 0.0 113.589 -176.661 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.641 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.06 -1.41 8.79 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.611 -179.76 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.519 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.783 -179.578 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.447 0.642 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.536 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.1 mm100 -126.51 -153.87 0.59 Allowed 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.962 0.887 . . . . 0.0 111.355 -177.779 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.788 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 69.6 38.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 CA-C-O 121.733 0.778 . . . . 0.0 110.09 -178.491 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.465 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.8 -47.03 2.81 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.524 -1.36 . . . . 0.0 107.5 177.136 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.542 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -122.55 -12.56 7.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.669 178.885 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.788 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.73 -99.01 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 121.386 0.612 . . . . 0.0 112.42 -179.695 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.774 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.15 -10.3 0.82 Allowed 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.255 -0.903 . . . . 0.0 109.229 179.327 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.642 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.2 tp60 -71.16 -35.99 71.86 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 105.268 -2.123 . . . . 0.0 105.268 176.275 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.566 ' HA ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -73.82 -25.05 59.9 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.047 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.711 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -89.59 -14.02 35.93 Favored 'General case' 0 C--N 1.288 -2.08 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 175.898 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.774 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.4 ttm180 -84.43 -48.79 9.28 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 177.8 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.745 ' HG3' ' HE3' ' A' ' 13' ' ' LYS . 10.1 ptp -47.05 -33.98 5.37 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 179.208 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.745 ' HE3' ' HG3' ' A' ' 12' ' ' MET 0.267 0.1 OUTLIER -67.1 37.72 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.168 176.303 . . . . . . . . 4 4 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.661 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -112.53 -162.58 0.8 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 120.765 -1.209 . . . . 0.0 113.868 -176.207 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.661 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.68 -6.0 8.06 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.949 -179.164 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.512 ' HD2' ' CZ3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.726 -179.55 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.416 0.627 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.521 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 19.5 mm100 -125.9 -153.32 0.56 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 122.018 0.913 . . . . 0.0 111.306 -177.74 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.783 ' HA ' ' CG ' ' A' ' 6' ' ' TRP . 1.2 mp 69.62 38.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 CA-C-O 121.835 0.826 . . . . 0.0 110.145 -178.486 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.468 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.3 -47.47 2.84 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.466 -1.396 . . . . 0.0 107.462 177.249 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.536 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -122.66 -11.96 7.54 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.611 178.909 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.783 ' CG ' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.06 -98.98 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.318 0.58 . . . . 0.0 112.473 -179.674 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.795 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -55.95 -10.16 0.73 Allowed 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.353 -0.842 . . . . 0.0 109.337 179.349 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.657 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.5 -35.91 70.92 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 176.274 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.688 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.24 -23.16 59.11 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 122.029 0.919 . . . . 0.0 108.565 178.082 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.702 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -92.22 -15.42 27.55 Favored 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 176.183 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.795 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -81.67 -45.26 16.01 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 177.921 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.688 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 24.0 ptm -51.38 -30.14 17.95 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 122.466 1.127 . . . . 0.0 108.24 179.051 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -80.11 45.82 0.76 Allowed 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.702 178.775 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.603 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.3 -161.96 0.77 Allowed 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 122.522 1.153 . . . . 0.0 113.751 -176.566 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.648 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.65 -1.72 8.96 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 114.913 -1.039 . . . . 0.0 109.607 -179.708 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.526 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 117.997 -1.002 . . . . 0.0 110.655 -179.642 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.422 0.629 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.527 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 17.5 mm100 -123.79 -151.85 0.49 Allowed 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.865 0.841 . . . . 0.0 111.3 -177.747 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.786 ' HA ' ' CG ' ' A' ' 6' ' ' TRP . 1.2 mp 69.97 37.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 CA-C-O 121.78 0.8 . . . . 0.0 110.052 -178.507 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.469 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.39 -47.47 2.83 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.458 -1.401 . . . . 0.0 107.455 177.193 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.544 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -122.29 -12.42 7.7 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.693 178.873 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.786 ' CG ' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.75 -98.81 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.446 0.641 . . . . 0.0 112.437 -179.667 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.795 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.22 -10.33 0.85 Allowed 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.338 -0.851 . . . . 0.0 109.296 179.406 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.659 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.34 -35.15 71.07 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 176.276 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.63 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 2.8 m-80 -75.23 -22.54 57.81 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.016 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.706 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -92.54 -14.46 28.32 Favored 'General case' 0 C--N 1.287 -2.136 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 175.893 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.795 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.2 ttm180 -83.88 -46.47 12.1 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.868 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.501 ' HG2' ' C ' ' A' ' 9' ' ' ASN . 11.6 ptp -52.21 -28.58 18.99 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 122.229 1.014 . . . . 0.0 108.544 179.296 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -81.8 45.53 0.91 Allowed 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.74 178.729 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.591 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -110.73 -161.88 0.77 Allowed 'General case' 0 C--N 1.304 -1.386 0 CA-C-O 122.577 1.18 . . . . 0.0 113.492 -176.653 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.638 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.65 -3.3 8.78 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.674 -179.751 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.524 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.862 -179.545 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.455 0.645 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.514 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 23.7 mm100 -129.56 -159.8 0.99 Allowed 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 122.161 0.981 . . . . 0.0 111.648 -177.679 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.784 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 1.2 mp 68.61 39.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.211 -178.633 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.476 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.09 -47.45 2.77 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.423 -1.423 . . . . 0.0 107.451 177.082 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.536 ' CD1' ' C ' ' A' ' 5' ' ' ILE . 2.4 pp -122.49 -12.12 7.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.687 178.914 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.784 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.8 -99.5 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.416 0.627 . . . . 0.0 112.376 -179.588 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.795 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -55.63 -10.38 0.68 Allowed 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.194 -0.941 . . . . 0.0 109.328 179.289 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.643 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.33 -35.45 71.21 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 105.529 -2.026 . . . . 0.0 105.529 176.337 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.665 ' O ' ' HG2' ' A' ' 12' ' ' MET . 3.0 m-80 -74.68 -22.58 58.8 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.045 0.926 . . . . 0.0 108.546 178.101 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.688 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.7 ptm180 -93.39 -15.36 25.75 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 105.583 -2.006 . . . . 0.0 105.583 176.257 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.795 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.8 ttm180 -81.68 -45.72 15.33 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 177.81 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.665 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.4 ptm -50.25 -30.95 12.84 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 122.495 1.14 . . . . 0.0 108.311 179.013 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -77.22 44.81 0.43 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.619 178.611 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.673 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -115.88 -166.2 1.12 Allowed 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 122.972 1.368 . . . . 0.0 114.353 -176.338 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.675 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -130.06 25.86 5.22 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 113.938 -1.483 . . . . 0.0 108.145 179.498 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HG2' ' HB3' ' A' ' 14' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.18 -178.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 121.433 0.635 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.553 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 19.8 mm100 -126.86 -152.6 0.52 Allowed 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.939 0.876 . . . . 0.0 111.111 -177.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.885 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.32 37.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 CA-C-O 121.819 0.819 . . . . 0.0 110.17 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.475 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.18 -48.13 2.83 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.412 -1.43 . . . . 0.0 107.434 177.193 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.838 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.51 -12.28 8.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.724 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.825 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.17 -98.3 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.383 0.611 . . . . 0.0 112.362 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.796 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.86 -9.37 0.79 Allowed 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.274 -0.891 . . . . 0.0 109.37 179.332 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.666 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -72.31 -35.74 68.73 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 176.227 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.699 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.41 -22.34 59.21 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 122.094 0.949 . . . . 0.0 108.498 178.022 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.718 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.4 ptm180 -93.13 -15.61 25.83 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 176.121 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.796 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -81.47 -45.41 16.04 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 177.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.699 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 6.6 ptm -50.74 -30.28 13.56 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 122.413 1.101 . . . . 0.0 108.207 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -78.59 45.39 0.58 Allowed 'General case' 0 N--CA 1.493 1.675 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.563 178.702 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.667 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -113.4 -165.33 0.99 Allowed 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 122.825 1.298 . . . . 0.0 114.105 -176.338 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.649 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.16 13.44 7.21 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.109 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.543 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 26.2 mmmt . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.839 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.351 0.596 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.541 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 23.5 mm100 -130.0 -156.51 0.76 Allowed 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 122.057 0.932 . . . . 0.0 111.616 -177.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.886 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.56 38.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 CA-C-O 121.897 0.856 . . . . 0.0 110.238 -178.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.476 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.25 -47.43 2.76 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.369 -1.457 . . . . 0.0 107.434 177.134 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.833 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.34 -12.0 7.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.742 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.826 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.01 -99.0 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.34 0.59 . . . . 0.0 112.406 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.801 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.14 -9.87 0.73 Allowed 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.308 -0.87 . . . . 0.0 109.282 179.367 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.661 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.93 -35.46 69.63 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 105.391 -2.078 . . . . 0.0 105.391 176.336 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.707 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.7 -22.89 58.6 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 122.007 0.908 . . . . 0.0 108.563 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.721 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -92.38 -15.49 27.2 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 176.155 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.801 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -81.68 -45.44 15.74 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.707 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 11.8 ptm -51.59 -29.95 19.3 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 122.455 1.121 . . . . 0.0 108.362 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -78.89 43.55 0.51 Allowed 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.875 178.879 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.627 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -111.99 -161.51 0.76 Allowed 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 122.533 1.159 . . . . 0.0 113.47 -176.86 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.652 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.69 -10.35 8.32 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.773 -179.488 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.589 ' HD2' ' CZ3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.651 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.699 0.762 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.561 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 11.3 mm100 -114.69 -146.56 0.41 Allowed 'General case' 0 C--N 1.3 -1.579 0 CA-C-O 121.806 0.812 . . . . 0.0 110.926 -178.092 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.871 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.1 mp 70.06 36.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 CA-C-O 121.839 0.828 . . . . 0.0 109.964 -178.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.478 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -114.74 -47.76 2.88 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.508 -1.37 . . . . 0.0 107.45 177.122 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.844 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.12 -12.01 8.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.593 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.832 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.16 -99.0 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 121.385 0.612 . . . . 0.0 112.287 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.805 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.16 -9.87 0.73 Allowed 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.33 -0.856 . . . . 0.0 109.374 179.411 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.678 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.81 -35.25 69.89 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 176.251 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.706 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.97 -22.8 58.33 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 122.126 0.965 . . . . 0.0 108.567 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.699 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 2.1 ptm180 -92.6 -15.37 26.97 Favored 'General case' 0 C--N 1.29 -2.012 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 176.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.805 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.8 ttm180 -81.77 -45.89 14.98 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 177.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.706 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 11.6 ptm -50.59 -30.5 13.41 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 122.461 1.124 . . . . 0.0 108.207 179.022 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.21 45.16 0.62 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.539 178.679 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.661 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -111.68 -161.27 0.75 Allowed 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 122.551 1.167 . . . . 0.0 113.515 -176.601 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.645 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -121.74 -0.81 9.57 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.359 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.525 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.689 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 121.408 0.623 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.527 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 27.7 mm100 -132.87 -162.65 1.26 Allowed 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 122.214 1.007 . . . . 0.0 111.828 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.895 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.06 39.74 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.404 -178.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.477 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.44 -47.88 2.72 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.363 -1.461 . . . . 0.0 107.401 177.124 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.839 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.72 -11.84 8.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.674 178.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.826 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.34 -98.88 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.352 0.596 . . . . 0.0 112.328 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.79 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.47 -9.79 0.79 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.262 -0.899 . . . . 0.0 109.252 179.318 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.651 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.86 -35.29 69.77 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 176.213 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.701 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.6 m-80 -74.64 -22.52 58.87 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 122.063 0.935 . . . . 0.0 108.543 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.714 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -93.0 -15.21 26.45 Favored 'General case' 0 C--N 1.289 -2.058 0 N-CA-C 105.608 -1.997 . . . . 0.0 105.608 176.247 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.79 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -82.11 -45.38 15.27 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 177.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.701 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 10.3 ptm -51.03 -30.27 14.94 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 122.471 1.129 . . . . 0.0 108.263 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -78.26 44.76 0.51 Allowed 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.632 178.699 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.663 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -113.22 -164.99 0.96 Allowed 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 122.851 1.31 . . . . 0.0 113.977 -176.424 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.654 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.66 11.06 6.69 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 114.398 -1.273 . . . . 0.0 109.303 -179.764 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.549 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 26.6 mmmt . . . . . 0 N--CA 1.497 1.918 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.868 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.479 0.656 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.542 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 22.6 mm100 -127.55 -158.47 0.87 Allowed 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 122.052 0.929 . . . . 0.0 111.472 -177.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.892 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.82 39.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 CA-C-O 121.794 0.806 . . . . 0.0 110.138 -178.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.488 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.88 -47.76 2.78 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.411 -1.431 . . . . 0.0 107.453 177.152 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.835 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.93 -12.35 8.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.738 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.823 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.85 -98.83 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 121.341 0.591 . . . . 0.0 112.419 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.799 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.24 -9.9 0.76 Allowed 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.336 -0.853 . . . . 0.0 109.346 179.33 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.657 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.81 -35.55 69.99 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 176.293 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.704 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.58 -22.8 58.78 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 178.057 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.717 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -92.57 -15.4 26.98 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 176.169 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.799 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -81.85 -45.37 15.61 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 177.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.704 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 18.5 ptm -51.31 -30.08 17.06 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 122.437 1.113 . . . . 0.0 108.266 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.69 45.16 0.67 Allowed 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.726 178.758 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.63 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.4 -162.38 0.79 Allowed 'General case' 0 C--N 1.305 -1.352 0 CA-C-O 122.572 1.177 . . . . 0.0 113.57 -176.67 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.647 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.01 -2.7 8.65 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.687 -179.553 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.751 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.44 0.638 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.548 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.7 mm100 -127.18 -157.08 0.79 Allowed 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 122.054 0.93 . . . . 0.0 111.595 -177.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.883 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.36 39.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 CA-C-O 121.841 0.829 . . . . 0.0 110.209 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.49 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.99 -47.85 2.76 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.465 -1.397 . . . . 0.0 107.379 177.247 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.835 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.36 -12.14 7.75 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.683 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.827 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.79 -99.08 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 121.343 0.592 . . . . 0.0 112.451 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.806 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.08 -9.98 0.73 Allowed 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.365 -0.834 . . . . 0.0 109.327 179.36 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.658 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.66 -35.6 70.4 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 105.423 -2.066 . . . . 0.0 105.423 176.394 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.737 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.75 -24.57 58.73 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.017 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.697 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -90.14 -15.05 32.36 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 176.016 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.806 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.1 ttm180 -82.66 -46.65 12.98 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.737 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 25.5 ptm -50.97 -33.66 25.62 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 107.786 -1.191 . . . . 0.0 107.786 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.65 ' HE3' ' CG ' ' A' ' 12' ' ' MET . 2.2 mmtp -68.75 39.36 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.917 177.261 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.695 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -111.58 -162.9 0.82 Allowed 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.714 -1.241 . . . . 0.0 113.776 -176.302 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.657 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.48 -2.77 8.42 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.807 -179.345 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.535 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 117.932 -1.033 . . . . 0.0 110.712 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.339 0.59 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.532 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 23.1 mm100 -127.09 -160.26 0.99 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 122.135 0.969 . . . . 0.0 111.787 -177.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.896 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.37 39.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.185 -178.503 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.498 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -116.11 -47.86 2.75 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.442 -1.411 . . . . 0.0 107.366 177.226 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.832 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.74 -11.69 7.57 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.593 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.827 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.82 -99.18 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.304 0.573 . . . . 0.0 112.415 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.806 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -55.82 -10.62 0.78 Allowed 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.32 -0.863 . . . . 0.0 109.374 179.371 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.656 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -70.86 -35.72 72.51 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 176.202 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.756 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.38 -24.36 59.13 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 177.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.697 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -91.0 -13.72 32.79 Favored 'General case' 0 C--N 1.289 -2.063 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 176.197 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.806 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.1 ttm180 -83.75 -44.88 13.96 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.756 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 25.2 ptt? -52.5 -28.77 21.83 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 122.389 1.09 . . . . 0.0 108.357 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -80.61 45.36 0.78 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.793 178.548 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.613 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -111.87 -162.26 0.79 Allowed 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 122.566 1.174 . . . . 0.0 113.403 -176.851 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.646 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.74 -5.96 8.58 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.787 -179.408 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.545 ' HD2' ' CZ3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.674 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.349 0.595 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.548 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 21.0 mm100 -125.57 -156.43 0.73 Allowed 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 122.045 0.926 . . . . 0.0 111.484 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.886 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.54 38.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 CA-C-O 121.81 0.814 . . . . 0.0 110.202 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.49 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.84 -47.29 2.8 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.466 -1.396 . . . . 0.0 107.396 177.201 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.833 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.37 -12.37 7.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.643 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.826 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.66 -98.72 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.392 0 CA-C-O 121.364 0.602 . . . . 0.0 112.471 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.795 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.32 -9.76 0.75 Allowed 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.322 -0.861 . . . . 0.0 109.383 179.437 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.654 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.8 -35.58 70.02 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 176.205 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.751 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.51 -23.54 58.85 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 122.056 0.931 . . . . 0.0 108.5 177.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.732 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.4 ptm180 -91.25 -15.17 29.62 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 176.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.795 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 4.7 ttm180 -82.27 -44.74 15.9 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 114.696 -1.138 . . . . 0.0 107.977 177.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.751 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 20.6 ptt? -52.18 -28.46 18.29 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 122.357 1.075 . . . . 0.0 108.226 179.046 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -80.28 45.06 0.72 Allowed 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.63 178.394 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.639 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.79 -161.92 0.77 Allowed 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.504 1.145 . . . . 0.0 113.623 -176.643 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.65 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.16 -2.29 8.63 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.625 -179.505 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.555 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.772 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.512 0.672 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.55 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 19.7 mm100 -124.68 -156.16 0.71 Allowed 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 122.037 0.922 . . . . 0.0 111.405 -177.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.888 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.97 38.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 CA-C-O 121.816 0.817 . . . . 0.0 110.117 -178.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.486 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.81 -47.36 2.8 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.402 -1.436 . . . . 0.0 107.437 177.184 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.838 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.9 -12.65 7.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.768 178.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.827 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.74 -99.15 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 121.382 0.611 . . . . 0.0 112.381 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.788 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.04 -10.43 0.81 Allowed 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.322 -0.861 . . . . 0.0 109.314 179.33 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.652 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.14 -35.29 71.65 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 105.513 -2.032 . . . . 0.0 105.513 176.246 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.652 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 2.8 m-80 -75.03 -22.34 58.5 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.003 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.712 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -92.7 -14.74 27.6 Favored 'General case' 0 C--N 1.286 -2.156 0 N-CA-C 105.506 -2.035 . . . . 0.0 105.506 175.827 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.788 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.3 ttm180 -83.61 -46.67 12.1 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 177.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.552 ' HG2' ' C ' ' A' ' 9' ' ' ASN . 8.7 ptp -51.51 -28.91 14.9 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 122.31 1.052 . . . . 0.0 108.523 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.652 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -80.98 45.1 0.8 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.672 178.685 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.629 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -110.97 -161.95 0.77 Allowed 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 122.604 1.193 . . . . 0.0 113.513 -176.663 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.641 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.01 -1.4 8.82 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.549 -179.665 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.543 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.715 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.385 0.612 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.55 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 21.8 mm100 -127.97 -156.42 0.75 Allowed 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.026 0.917 . . . . 0.0 111.449 -177.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.88 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.8 38.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 CA-C-O 121.725 0.774 . . . . 0.0 110.189 -178.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.472 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.73 -48.0 2.78 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.411 -1.431 . . . . 0.0 107.518 177.166 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.846 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.3 pp -121.12 -12.46 8.72 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.721 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.823 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.28 -98.57 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.392 0.615 . . . . 0.0 112.347 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.786 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.97 -9.28 0.79 Allowed 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.246 -0.908 . . . . 0.0 109.265 179.413 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.661 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -72.19 -35.43 68.96 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 176.219 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.707 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.63 -22.63 58.82 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 122.047 0.927 . . . . 0.0 108.573 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.743 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -92.26 -15.74 27.06 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 176.205 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.786 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.4 ttm180 -81.42 -46.26 14.86 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 177.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.707 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.6 ptm -50.58 -30.04 12.26 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-O 122.447 1.117 . . . . 0.0 108.317 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.38 44.11 0.58 Allowed 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.747 178.824 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.626 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -111.27 -162.03 0.78 Allowed 'General case' 0 C--N 1.304 -1.386 0 CA-C-O 122.535 1.159 . . . . 0.0 113.418 -176.896 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.646 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.32 -9.85 8.05 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.901 -179.263 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HD2' ' CZ3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.719 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.32 0.581 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.558 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 7.0 mm100 -116.16 -138.25 0.37 Allowed 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.591 0.71 . . . . 0.0 110.968 -177.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.845 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.1 mp 70.45 34.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 CA-C-O 121.759 0.79 . . . . 0.0 109.936 -178.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.465 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -112.83 -46.72 3.1 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.445 -1.409 . . . . 0.0 107.56 177.177 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.838 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.76 -12.64 7.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.714 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.834 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.76 -98.49 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.408 0.623 . . . . 0.0 112.439 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.812 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.32 -9.71 0.74 Allowed 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.336 -0.852 . . . . 0.0 109.467 179.439 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.681 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.98 -35.81 69.61 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 105.29 -2.115 . . . . 0.0 105.29 176.265 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.76 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.58 -24.36 58.9 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.721 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -90.31 -14.51 33.02 Favored 'General case' 0 C--N 1.288 -2.078 0 N-CA-C 105.578 -2.008 . . . . 0.0 105.578 176.078 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.812 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.7 ttm180 -82.85 -45.25 14.49 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.055 178.226 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.76 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 24.9 ptt? -52.53 -28.46 20.74 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 122.376 1.084 . . . . 0.0 108.355 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -82.61 46.59 1.08 Allowed 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.834 178.601 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.592 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -110.89 -162.78 0.81 Allowed 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 122.67 1.224 . . . . 0.0 113.62 -176.625 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.659 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.58 -1.61 9.01 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.512 -179.583 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.767 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.718 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.446 0.641 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.556 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.3 mm100 -126.65 -154.99 0.66 Allowed 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 121.991 0.9 . . . . 0.0 111.28 -177.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.877 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.18 38.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 CA-C-O 121.76 0.791 . . . . 0.0 110.088 -178.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.471 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.79 -47.47 2.8 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.459 -1.4 . . . . 0.0 107.498 177.252 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.844 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.44 -12.41 8.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.868 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.824 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.23 -98.78 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.341 0.591 . . . . 0.0 112.382 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.78 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.62 -9.58 0.78 Allowed 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.262 -0.899 . . . . 0.0 109.265 179.304 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.651 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -72.03 -35.15 69.3 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 176.206 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.695 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.6 m-80 -74.42 -22.59 59.07 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 122.116 0.96 . . . . 0.0 108.615 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.714 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -93.05 -15.0 26.63 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 176.144 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.78 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -82.5 -45.24 14.95 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 177.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.695 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 14.6 ptm -50.66 -30.63 14.07 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 122.438 1.113 . . . . 0.0 108.178 178.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -77.54 45.13 0.47 Allowed 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.455 178.441 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.69 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -113.6 -164.28 0.91 Allowed 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 122.817 1.294 . . . . 0.0 114.028 -176.277 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.654 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.39 11.54 6.89 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 114.415 -1.266 . . . . 0.0 109.246 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.545 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 12.8 mmmt . . . . . 0 N--CA 1.496 1.862 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.948 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.478 0.656 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.541 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 22.0 mm100 -126.65 -158.1 0.84 Allowed 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 122.06 0.933 . . . . 0.0 111.575 -177.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.891 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.83 39.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 CA-C-O 121.791 0.805 . . . . 0.0 110.157 -178.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.49 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.96 -47.69 2.77 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.374 -1.454 . . . . 0.0 107.423 177.193 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.835 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.12 -12.17 7.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.687 178.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.826 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.88 -98.66 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.312 0.577 . . . . 0.0 112.42 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.798 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.6 -9.43 0.74 Allowed 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.36 -0.837 . . . . 0.0 109.352 179.38 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.653 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -72.21 -35.43 68.89 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 176.183 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.717 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.66 -22.8 58.69 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.024 0.916 . . . . 0.0 108.547 178.047 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.74 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 2.1 ptm180 -92.23 -15.67 27.2 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 176.204 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.798 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.8 ttm180 -81.47 -45.59 15.78 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 177.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.717 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 10.7 ptm -51.39 -30.02 17.66 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 122.425 1.107 . . . . 0.0 108.293 179.072 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.52 45.7 0.69 Allowed 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.785 178.841 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.631 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -112.84 -165.48 1.0 Allowed 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 122.758 1.266 . . . . 0.0 114.096 -176.454 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.662 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.76 12.03 6.76 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.257 -179.658 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.541 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 26.7 mmmt . . . . . 0 N--CA 1.496 1.83 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.921 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.366 0.603 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.53 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 26.2 mm100 -131.33 -159.99 1.01 Allowed 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 122.111 0.958 . . . . 0.0 111.789 -177.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.899 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.84 39.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.304 -178.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.48 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -116.08 -48.1 2.74 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.382 -1.449 . . . . 0.0 107.366 177.218 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.836 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.05 -11.83 8.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.741 178.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.822 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.96 -98.94 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.418 0.627 . . . . 0.0 112.352 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.791 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.18 -10.22 0.81 Allowed 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.247 -0.908 . . . . 0.0 109.253 179.379 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.66 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.51 -35.38 70.72 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 176.333 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.706 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.47 -22.82 58.91 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 122.058 0.932 . . . . 0.0 108.539 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.715 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -92.7 -15.08 27.14 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 176.169 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.791 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.6 ttm180 -82.29 -45.15 15.34 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 177.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.706 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.1 ptm -51.16 -30.34 16.47 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-O 122.497 1.141 . . . . 0.0 108.205 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -78.51 45.37 0.57 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.539 178.669 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.675 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -113.7 -164.91 0.96 Allowed 'General case' 0 C--N 1.305 -1.331 0 CA-C-O 122.822 1.296 . . . . 0.0 114.094 -176.396 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.66 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -128.18 13.31 6.67 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 114.376 -1.284 . . . . 0.0 109.213 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.545 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 12.6 mmmt . . . . . 0 N--CA 1.497 1.875 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.907 -179.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.358 0.599 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.532 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 25.2 mm100 -130.58 -159.56 0.97 Allowed 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 122.102 0.953 . . . . 0.0 111.708 -177.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.897 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.76 39.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.269 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.483 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -116.2 -47.96 2.74 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.453 -1.404 . . . . 0.0 107.47 177.141 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.838 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.98 -12.17 8.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.676 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.822 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.82 -98.89 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.406 0.622 . . . . 0.0 112.375 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.792 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.29 -10.15 0.83 Allowed 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.226 -0.921 . . . . 0.0 109.332 179.318 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.65 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.51 -35.4 70.74 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 176.27 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.709 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.55 -22.84 58.8 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.027 0.917 . . . . 0.0 108.538 178.026 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.714 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.8 ptm180 -92.65 -15.2 27.08 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 176.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.792 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -81.96 -45.44 15.38 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.709 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 27.6 ptm -51.01 -30.47 15.36 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 122.518 1.152 . . . . 0.0 108.277 178.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -78.68 45.54 0.6 Allowed 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.561 178.682 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.663 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -113.34 -165.05 0.96 Allowed 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 122.838 1.304 . . . . 0.0 114.162 -176.402 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.661 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -128.16 12.64 6.62 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.386 -1.279 . . . . 0.0 109.162 -179.786 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.547 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 13.5 mmmm . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 118.089 -0.958 . . . . 0.0 110.946 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.4 0.619 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.556 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.2 mm100 -127.33 -155.15 0.68 Allowed 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 121.995 0.902 . . . . 0.0 111.315 -177.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.878 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.81 38.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 CA-C-O 121.817 0.818 . . . . 0.0 110.126 -178.543 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.475 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.68 -47.17 2.82 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.299 -1.501 . . . . 0.0 107.595 177.068 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.845 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.53 -13.04 8.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.818 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.826 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.83 -98.66 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.291 0.567 . . . . 0.0 112.338 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.782 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.62 -10.15 0.92 Allowed 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.372 -0.83 . . . . 0.0 109.344 179.315 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.643 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.32 -35.26 71.16 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 176.175 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.699 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.63 -22.63 58.82 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 122.048 0.927 . . . . 0.0 108.57 178.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.715 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.7 ptm180 -92.97 -15.08 26.65 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 105.699 -1.963 . . . . 0.0 105.699 176.249 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.782 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -82.22 -45.1 15.51 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.699 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 27.4 ptm -51.47 -30.11 18.7 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 122.535 1.159 . . . . 0.0 108.273 179.034 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -78.4 43.95 0.49 Allowed 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.765 178.749 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.64 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -111.91 -162.04 0.78 Allowed 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.549 1.166 . . . . 0.0 113.416 -176.774 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.648 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.17 -7.75 8.25 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.841 -179.399 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.546 ' HD2' ' CZ3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.836 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 . . . . . 0 N--CA 1.494 1.763 0 CA-C-O 121.369 0.604 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.532 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 26.3 mm100 -132.09 -160.33 1.04 Allowed 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 122.175 0.988 . . . . 0.0 111.815 -177.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.89 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.83 39.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.205 -178.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.481 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.46 -47.94 2.72 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.466 -1.397 . . . . 0.0 107.4 177.176 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.842 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.23 -12.39 8.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.747 178.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.821 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.04 -98.96 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 121.43 0.633 . . . . 0.0 112.349 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.795 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.35 -9.82 0.77 Allowed 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.161 -0.962 . . . . 0.0 109.328 179.303 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.65 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.72 -35.59 70.23 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 176.208 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.751 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.38 -23.88 59.06 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.054 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.733 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.3 ptm180 -91.1 -14.32 31.44 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 176.149 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.795 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.6 ttm180 -83.29 -45.22 14.06 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 114.755 -1.111 . . . . 0.0 108.017 178.011 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.751 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 23.6 ptt? -51.89 -28.69 17.01 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-O 122.335 1.064 . . . . 0.0 108.303 179.164 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -80.9 45.63 0.83 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.719 178.435 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.633 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -112.09 -162.3 0.79 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 122.575 1.179 . . . . 0.0 113.581 -176.674 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.644 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.06 -1.52 8.77 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.635 -179.579 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.538 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.739 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.515 0.674 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.542 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.4 mm100 -125.37 -156.94 0.76 Allowed 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.999 0.904 . . . . 0.0 111.581 -177.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.893 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.17 38.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 CA-C-O 121.862 0.839 . . . . 0.0 110.181 -178.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.485 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.78 -48.07 2.77 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.393 -1.442 . . . . 0.0 107.445 177.237 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.838 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.98 -12.01 8.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.652 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.823 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.99 -98.98 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.387 0.613 . . . . 0.0 112.337 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.8 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.25 -9.87 0.76 Allowed 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.362 -0.836 . . . . 0.0 109.345 179.359 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.663 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.77 -35.47 70.07 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 176.337 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.709 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.63 -22.94 58.66 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 122.047 0.927 . . . . 0.0 108.515 178.019 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.713 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -92.42 -15.18 27.53 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 176.151 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.8 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.2 ttm180 -82.02 -45.53 15.18 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 177.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.709 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 12.4 ptm -51.1 -30.08 15.06 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 122.382 1.087 . . . . 0.0 108.233 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -80.15 45.62 0.75 Allowed 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.729 178.772 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.623 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.09 -162.19 0.78 Allowed 'General case' 0 C--N 1.304 -1.401 0 CA-C-O 122.523 1.154 . . . . 0.0 113.716 -176.609 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.648 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.42 -2.94 8.92 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.609 -179.637 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.548 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.793 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.516 0.674 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.545 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.6 mm100 -126.19 -156.84 0.76 Allowed 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 122.071 0.939 . . . . 0.0 111.538 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.891 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.2 38.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-O 121.777 0.799 . . . . 0.0 110.089 -178.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.489 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.93 -47.6 2.78 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.476 -1.39 . . . . 0.0 107.445 177.23 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.84 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.94 -12.12 8.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.745 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.822 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.16 -99.01 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.36 0.6 . . . . 0.0 112.36 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.796 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.33 -9.71 0.74 Allowed 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.289 -0.882 . . . . 0.0 109.291 179.329 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.652 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.92 -35.31 69.63 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 176.313 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.702 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.63 -22.67 58.79 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 122.052 0.929 . . . . 0.0 108.543 178.045 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.713 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -92.85 -15.0 26.98 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 105.692 -1.966 . . . . 0.0 105.692 176.2 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.796 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -82.33 -45.47 14.88 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.702 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 19.1 ptm -51.08 -30.23 15.34 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 122.451 1.12 . . . . 0.0 108.267 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.33 45.98 0.7 Allowed 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.661 178.742 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.649 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -113.15 -165.42 0.99 Allowed 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 122.829 1.299 . . . . 0.0 114.118 -176.365 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.653 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.64 13.29 6.95 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 114.399 -1.273 . . . . 0.0 109.276 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.551 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 13.4 mmmm . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.926 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.4 0.619 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.544 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 24.3 mm100 -130.04 -158.38 0.89 Allowed 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 122.147 0.975 . . . . 0.0 111.512 -177.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.891 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.81 39.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 CA-C-O 121.834 0.825 . . . . 0.0 110.194 -178.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.478 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.14 -47.73 2.75 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.444 -1.41 . . . . 0.0 107.424 177.143 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.84 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.65 -12.43 8.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.71 178.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.824 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.96 -98.96 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.425 0.631 . . . . 0.0 112.294 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.789 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.27 -10.04 0.8 Allowed 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.292 -0.88 . . . . 0.0 109.296 179.411 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.656 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.59 -35.45 70.54 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 176.21 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.7 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.6 -22.57 58.89 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.083 0.944 . . . . 0.0 108.528 178.055 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.718 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -92.84 -15.21 26.74 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 176.199 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.789 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -82.01 -45.45 15.3 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 177.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.7 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 27.3 ptm -51.06 -30.27 15.25 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 122.39 1.091 . . . . 0.0 108.203 178.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.47 45.32 0.66 Allowed 'General case' 0 N--CA 1.493 1.7 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.639 178.747 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.633 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.61 -162.43 0.8 Allowed 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 122.645 1.212 . . . . 0.0 113.632 -176.653 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.647 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.19 -0.65 8.83 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.609 -179.594 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.771 -179.503 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.437 0.637 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.547 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 24.3 mm100 -130.23 -159.59 0.97 Allowed 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 122.081 0.943 . . . . 0.0 111.499 -177.84 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.889 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.6 39.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.304 -178.628 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.481 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -116.27 -47.45 2.75 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.474 -1.391 . . . . 0.0 107.489 177.169 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.838 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.85 -12.36 8.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.665 178.836 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.825 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.1 -98.95 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 121.344 0.592 . . . . 0.0 112.35 -179.671 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.786 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.2 -9.92 0.76 Allowed 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.25 -0.906 . . . . 0.0 109.293 179.328 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.654 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.64 -35.46 70.41 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 176.232 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.7 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.54 -22.65 58.9 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 122.123 0.963 . . . . 0.0 108.557 178.073 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.718 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -92.8 -15.18 26.84 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 176.178 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.786 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -82.03 -45.52 15.19 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 177.88 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.7 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.8 ptm -50.74 -30.3 13.61 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 122.462 1.125 . . . . 0.0 108.238 178.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -78.86 44.92 0.57 Allowed 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.49 178.593 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.665 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -112.08 -161.52 0.76 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 122.655 1.217 . . . . 0.0 113.66 -176.504 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.646 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.97 -0.01 9.06 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.452 -179.762 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.525 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.664 -179.541 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.413 0.625 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.531 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 26.9 mm100 -132.16 -161.23 1.11 Allowed 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 122.189 0.995 . . . . 0.0 111.812 -177.632 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.892 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.39 39.92 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.271 -178.622 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.479 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.57 -47.88 2.71 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.378 -1.451 . . . . 0.0 107.389 177.195 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.842 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.46 -12.34 8.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.767 178.853 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.824 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.07 -99.12 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.408 0.623 . . . . 0.0 112.365 -179.616 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.786 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.24 -10.29 0.85 Allowed 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.266 -0.896 . . . . 0.0 109.216 179.286 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.647 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.21 -35.52 71.56 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 176.24 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.609 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 2.7 m-80 -74.76 -22.64 58.66 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 122.027 0.918 . . . . 0.0 108.526 178.022 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.709 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.8 ptm180 -92.33 -14.21 29.1 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 175.853 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.786 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.2 ttm180 -84.19 -45.17 13.22 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.841 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.592 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 12.6 ptp -52.41 -28.71 20.91 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-O 122.291 1.043 . . . . 0.0 108.418 179.224 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.609 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -80.43 44.99 0.73 Allowed 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.598 178.724 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.637 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.33 -161.66 0.76 Allowed 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 122.601 1.191 . . . . 0.0 113.589 -176.661 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.641 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.06 -1.41 8.79 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.611 -179.76 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.783 -179.578 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.447 0.642 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.563 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.1 mm100 -126.51 -153.87 0.59 Allowed 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.962 0.887 . . . . 0.0 111.355 -177.779 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.866 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.6 38.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 CA-C-O 121.733 0.778 . . . . 0.0 110.09 -178.491 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.479 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.8 -47.03 2.81 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.524 -1.36 . . . . 0.0 107.5 177.136 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.84 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.55 -12.56 7.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.669 178.885 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.831 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.73 -99.01 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 121.386 0.612 . . . . 0.0 112.42 -179.695 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.782 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.15 -10.3 0.82 Allowed 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.255 -0.903 . . . . 0.0 109.229 179.327 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.651 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.16 -35.99 71.86 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 105.268 -2.123 . . . . 0.0 105.268 176.275 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.59 ' HA ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -73.82 -25.05 59.9 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.047 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.723 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -89.59 -14.02 35.93 Favored 'General case' 0 C--N 1.288 -2.08 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 175.898 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.782 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.4 ttm180 -84.43 -48.79 9.28 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 177.8 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.749 ' HG3' ' HE3' ' A' ' 13' ' ' LYS . 10.1 ptp -47.05 -33.98 5.37 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 179.208 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.749 ' HE3' ' HG3' ' A' ' 12' ' ' MET 0.267 0.1 OUTLIER -67.1 37.72 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.168 176.303 . . . . . . . . 4 4 . 1 . 023 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.677 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -112.53 -162.58 0.8 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 120.765 -1.209 . . . . 0.0 113.868 -176.207 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.661 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.68 -6.0 8.06 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.949 -179.164 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HD2' ' CZ3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.726 -179.55 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.416 0.627 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.547 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 19.5 mm100 -125.9 -153.32 0.56 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 122.018 0.913 . . . . 0.0 111.306 -177.74 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.89 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.62 38.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 CA-C-O 121.835 0.826 . . . . 0.0 110.145 -178.486 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.481 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.3 -47.47 2.84 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.466 -1.396 . . . . 0.0 107.462 177.249 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.837 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.66 -11.96 7.54 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.611 178.909 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.827 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.06 -98.98 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.318 0.58 . . . . 0.0 112.473 -179.674 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.8 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -55.95 -10.16 0.73 Allowed 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.353 -0.842 . . . . 0.0 109.337 179.349 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.666 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.5 -35.91 70.92 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 176.274 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.712 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.24 -23.16 59.11 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 122.029 0.919 . . . . 0.0 108.565 178.082 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.711 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -92.22 -15.42 27.55 Favored 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 176.183 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.8 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -81.67 -45.26 16.01 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 177.921 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.712 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 24.0 ptm -51.38 -30.14 17.95 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 122.466 1.127 . . . . 0.0 108.24 179.051 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -80.11 45.82 0.76 Allowed 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.702 178.775 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.623 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.3 -161.96 0.77 Allowed 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 122.522 1.153 . . . . 0.0 113.751 -176.566 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.648 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.65 -1.72 8.96 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 114.913 -1.039 . . . . 0.0 109.607 -179.708 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.55 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 117.997 -1.002 . . . . 0.0 110.655 -179.642 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.422 0.629 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.553 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 17.5 mm100 -123.79 -151.85 0.49 Allowed 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.865 0.841 . . . . 0.0 111.3 -177.747 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.885 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.97 37.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 CA-C-O 121.78 0.8 . . . . 0.0 110.052 -178.507 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.481 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.39 -47.47 2.83 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.458 -1.401 . . . . 0.0 107.455 177.193 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.841 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.29 -12.42 7.7 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.693 178.873 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.826 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.75 -98.81 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.446 0.641 . . . . 0.0 112.437 -179.667 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.801 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.22 -10.33 0.85 Allowed 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.338 -0.851 . . . . 0.0 109.296 179.406 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.668 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.34 -35.15 71.07 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 176.276 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.655 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 2.8 m-80 -75.23 -22.54 57.81 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.016 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.716 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -92.54 -14.46 28.32 Favored 'General case' 0 C--N 1.287 -2.136 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 175.893 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.801 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.2 ttm180 -83.88 -46.47 12.1 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.868 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.541 ' HG2' ' C ' ' A' ' 9' ' ' ASN . 11.6 ptp -52.21 -28.58 18.99 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 122.229 1.014 . . . . 0.0 108.544 179.296 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.655 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -81.8 45.53 0.91 Allowed 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.74 178.729 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.609 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -110.73 -161.88 0.77 Allowed 'General case' 0 C--N 1.304 -1.386 0 CA-C-O 122.577 1.18 . . . . 0.0 113.492 -176.653 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.638 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.65 -3.3 8.78 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.674 -179.751 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.549 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.862 -179.545 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.455 0.645 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.54 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 23.7 mm100 -129.56 -159.8 0.99 Allowed 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 122.161 0.981 . . . . 0.0 111.648 -177.679 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.887 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.61 39.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.211 -178.633 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.476 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.09 -47.45 2.77 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.423 -1.423 . . . . 0.0 107.451 177.082 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.836 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.49 -12.12 7.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.687 178.914 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.834 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.8 -99.5 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.416 0.627 . . . . 0.0 112.376 -179.588 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.799 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -55.63 -10.38 0.68 Allowed 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.194 -0.941 . . . . 0.0 109.328 179.289 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.651 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.33 -35.45 71.21 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 105.529 -2.026 . . . . 0.0 105.529 176.337 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.691 ' O ' ' HG2' ' A' ' 12' ' ' MET . 3.0 m-80 -74.68 -22.58 58.8 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.045 0.926 . . . . 0.0 108.546 178.101 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.701 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.7 ptm180 -93.39 -15.36 25.75 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 105.583 -2.006 . . . . 0.0 105.583 176.257 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.799 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.8 ttm180 -81.68 -45.72 15.33 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 177.81 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.691 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.4 ptm -50.25 -30.95 12.84 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 122.495 1.14 . . . . 0.0 108.311 179.013 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -77.22 44.81 0.43 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.619 178.611 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.696 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -115.88 -166.2 1.12 Allowed 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 122.972 1.368 . . . . 0.0 114.353 -176.338 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.675 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -130.06 25.86 5.22 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 113.938 -1.483 . . . . 0.0 108.145 179.498 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.527 ' HG2' ' HB3' ' A' ' 14' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.18 -178.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 121.433 0.635 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.553 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 19.8 mm100 -126.86 -152.6 0.52 Allowed 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.939 0.876 . . . . 0.0 111.111 -177.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.885 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.32 37.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 CA-C-O 121.819 0.819 . . . . 0.0 110.17 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.475 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.18 -48.13 2.83 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.412 -1.43 . . . . 0.0 107.434 177.193 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.838 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.51 -12.28 8.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.724 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.825 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.17 -98.3 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.383 0.611 . . . . 0.0 112.362 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.796 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.86 -9.37 0.79 Allowed 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.274 -0.891 . . . . 0.0 109.37 179.332 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.666 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -72.31 -35.74 68.73 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 176.227 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.699 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.41 -22.34 59.21 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 122.094 0.949 . . . . 0.0 108.498 178.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.718 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.4 ptm180 -93.13 -15.61 25.83 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 176.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.796 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -81.47 -45.41 16.04 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 177.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.699 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 6.6 ptm -50.74 -30.28 13.56 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 122.413 1.101 . . . . 0.0 108.207 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -78.59 45.39 0.58 Allowed 'General case' 0 N--CA 1.493 1.675 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.563 178.702 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.667 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -113.4 -165.33 0.99 Allowed 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 122.825 1.298 . . . . 0.0 114.105 -176.338 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.649 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.16 13.44 7.21 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.109 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.543 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 26.2 mmmt . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.839 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.351 0.596 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.541 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 23.5 mm100 -130.0 -156.51 0.76 Allowed 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 122.057 0.932 . . . . 0.0 111.616 -177.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.886 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.56 38.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 CA-C-O 121.897 0.856 . . . . 0.0 110.238 -178.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.476 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.25 -47.43 2.76 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.369 -1.457 . . . . 0.0 107.434 177.134 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.833 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.34 -12.0 7.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.742 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.826 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.01 -99.0 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.34 0.59 . . . . 0.0 112.406 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.801 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.14 -9.87 0.73 Allowed 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.308 -0.87 . . . . 0.0 109.282 179.367 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.661 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.93 -35.46 69.63 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 105.391 -2.078 . . . . 0.0 105.391 176.336 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.707 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.7 -22.89 58.6 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 122.007 0.908 . . . . 0.0 108.563 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.721 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -92.38 -15.49 27.2 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 176.155 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.801 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -81.68 -45.44 15.74 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.707 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 11.8 ptm -51.59 -29.95 19.3 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 122.455 1.121 . . . . 0.0 108.362 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -78.89 43.55 0.51 Allowed 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.875 178.879 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.627 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -111.99 -161.51 0.76 Allowed 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 122.533 1.159 . . . . 0.0 113.47 -176.86 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.652 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.69 -10.35 8.32 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.773 -179.488 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.589 ' HD2' ' CZ3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.651 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.699 0.762 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.561 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 11.3 mm100 -114.69 -146.56 0.41 Allowed 'General case' 0 C--N 1.3 -1.579 0 CA-C-O 121.806 0.812 . . . . 0.0 110.926 -178.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.871 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.1 mp 70.06 36.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 CA-C-O 121.839 0.828 . . . . 0.0 109.964 -178.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.478 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -114.74 -47.76 2.88 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.508 -1.37 . . . . 0.0 107.45 177.122 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.844 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.12 -12.01 8.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.593 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.832 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.16 -99.0 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 121.385 0.612 . . . . 0.0 112.287 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.805 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.16 -9.87 0.73 Allowed 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.33 -0.856 . . . . 0.0 109.374 179.411 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.678 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.81 -35.25 69.89 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 176.251 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.706 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.97 -22.8 58.33 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 122.126 0.965 . . . . 0.0 108.567 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.699 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 2.1 ptm180 -92.6 -15.37 26.97 Favored 'General case' 0 C--N 1.29 -2.012 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 176.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.805 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.8 ttm180 -81.77 -45.89 14.98 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 177.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.706 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 11.6 ptm -50.59 -30.5 13.41 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 122.461 1.124 . . . . 0.0 108.207 179.022 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.21 45.16 0.62 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.539 178.679 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.661 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -111.68 -161.27 0.75 Allowed 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 122.551 1.167 . . . . 0.0 113.515 -176.601 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.645 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -121.74 -0.81 9.57 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.359 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.525 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.689 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 121.408 0.623 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.527 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 27.7 mm100 -132.87 -162.65 1.26 Allowed 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 122.214 1.007 . . . . 0.0 111.828 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.895 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.06 39.74 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.404 -178.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.477 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.44 -47.88 2.72 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.363 -1.461 . . . . 0.0 107.401 177.124 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.839 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.72 -11.84 8.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.674 178.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.826 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.34 -98.88 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.352 0.596 . . . . 0.0 112.328 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.79 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.47 -9.79 0.79 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.262 -0.899 . . . . 0.0 109.252 179.318 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.651 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.86 -35.29 69.77 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 176.213 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.701 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.6 m-80 -74.64 -22.52 58.87 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 122.063 0.935 . . . . 0.0 108.543 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.714 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -93.0 -15.21 26.45 Favored 'General case' 0 C--N 1.289 -2.058 0 N-CA-C 105.608 -1.997 . . . . 0.0 105.608 176.247 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.79 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -82.11 -45.38 15.27 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 177.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.701 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 10.3 ptm -51.03 -30.27 14.94 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 122.471 1.129 . . . . 0.0 108.263 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -78.26 44.76 0.51 Allowed 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.632 178.699 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.663 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -113.22 -164.99 0.96 Allowed 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 122.851 1.31 . . . . 0.0 113.977 -176.424 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.654 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.66 11.06 6.69 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 114.398 -1.273 . . . . 0.0 109.303 -179.764 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.549 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 26.6 mmmt . . . . . 0 N--CA 1.497 1.918 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.868 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.479 0.656 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.542 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 22.6 mm100 -127.55 -158.47 0.87 Allowed 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 122.052 0.929 . . . . 0.0 111.472 -177.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.892 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.82 39.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 CA-C-O 121.794 0.806 . . . . 0.0 110.138 -178.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.488 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.88 -47.76 2.78 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.411 -1.431 . . . . 0.0 107.453 177.152 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.835 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.93 -12.35 8.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.738 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.823 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.85 -98.83 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 121.341 0.591 . . . . 0.0 112.419 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.799 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.24 -9.9 0.76 Allowed 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.336 -0.853 . . . . 0.0 109.346 179.33 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.657 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.81 -35.55 69.99 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 176.293 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.704 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.58 -22.8 58.78 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 178.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.717 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -92.57 -15.4 26.98 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 176.169 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.799 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -81.85 -45.37 15.61 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 177.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.704 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 18.5 ptm -51.31 -30.08 17.06 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 122.437 1.113 . . . . 0.0 108.266 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.69 45.16 0.67 Allowed 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.726 178.758 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.63 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.4 -162.38 0.79 Allowed 'General case' 0 C--N 1.305 -1.352 0 CA-C-O 122.572 1.177 . . . . 0.0 113.57 -176.67 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.647 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.01 -2.7 8.65 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.687 -179.553 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.751 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.44 0.638 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.548 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.7 mm100 -127.18 -157.08 0.79 Allowed 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 122.054 0.93 . . . . 0.0 111.595 -177.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.883 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.36 39.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 CA-C-O 121.841 0.829 . . . . 0.0 110.209 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.49 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.99 -47.85 2.76 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.465 -1.397 . . . . 0.0 107.379 177.247 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.835 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.36 -12.14 7.75 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.683 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.827 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.79 -99.08 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 121.343 0.592 . . . . 0.0 112.451 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.806 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.08 -9.98 0.73 Allowed 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.365 -0.834 . . . . 0.0 109.327 179.36 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.658 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.66 -35.6 70.4 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 105.423 -2.066 . . . . 0.0 105.423 176.394 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.737 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.75 -24.57 58.73 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.697 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -90.14 -15.05 32.36 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 176.016 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.806 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.1 ttm180 -82.66 -46.65 12.98 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.737 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 25.5 ptm -50.97 -33.66 25.62 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 107.786 -1.191 . . . . 0.0 107.786 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.65 ' HE3' ' CG ' ' A' ' 12' ' ' MET . 2.2 mmtp -68.75 39.36 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.917 177.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.695 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -111.58 -162.9 0.82 Allowed 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.714 -1.241 . . . . 0.0 113.776 -176.302 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.657 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.48 -2.77 8.42 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.807 -179.345 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.535 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 117.932 -1.033 . . . . 0.0 110.712 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.339 0.59 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.532 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 23.1 mm100 -127.09 -160.26 0.99 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 122.135 0.969 . . . . 0.0 111.787 -177.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.896 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.37 39.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.185 -178.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.498 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -116.11 -47.86 2.75 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.442 -1.411 . . . . 0.0 107.366 177.226 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.832 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.74 -11.69 7.57 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.593 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.827 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.82 -99.18 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.304 0.573 . . . . 0.0 112.415 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.806 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -55.82 -10.62 0.78 Allowed 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.32 -0.863 . . . . 0.0 109.374 179.371 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.656 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -70.86 -35.72 72.51 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 176.202 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.756 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.38 -24.36 59.13 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 177.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.697 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -91.0 -13.72 32.79 Favored 'General case' 0 C--N 1.289 -2.063 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 176.197 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.806 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.1 ttm180 -83.75 -44.88 13.96 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.756 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 25.2 ptt? -52.5 -28.77 21.83 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 122.389 1.09 . . . . 0.0 108.357 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -80.61 45.36 0.78 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.793 178.548 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.613 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -111.87 -162.26 0.79 Allowed 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 122.566 1.174 . . . . 0.0 113.403 -176.851 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.646 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.74 -5.96 8.58 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.787 -179.408 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.545 ' HD2' ' CZ3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.674 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.349 0.595 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.548 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 21.0 mm100 -125.57 -156.43 0.73 Allowed 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 122.045 0.926 . . . . 0.0 111.484 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.886 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.54 38.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 CA-C-O 121.81 0.814 . . . . 0.0 110.202 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.49 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.84 -47.29 2.8 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.466 -1.396 . . . . 0.0 107.396 177.201 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.833 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.37 -12.37 7.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.643 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.826 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.66 -98.72 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.392 0 CA-C-O 121.364 0.602 . . . . 0.0 112.471 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.795 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.32 -9.76 0.75 Allowed 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.322 -0.861 . . . . 0.0 109.383 179.437 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.654 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.8 -35.58 70.02 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 176.205 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.751 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.51 -23.54 58.85 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 122.056 0.931 . . . . 0.0 108.5 177.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.732 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.4 ptm180 -91.25 -15.17 29.62 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 176.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.795 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 4.7 ttm180 -82.27 -44.74 15.9 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 114.696 -1.138 . . . . 0.0 107.977 177.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.751 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 20.6 ptt? -52.18 -28.46 18.29 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 122.357 1.075 . . . . 0.0 108.226 179.046 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -80.28 45.06 0.72 Allowed 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.63 178.394 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.639 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.79 -161.92 0.77 Allowed 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.504 1.145 . . . . 0.0 113.623 -176.643 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.65 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.16 -2.29 8.63 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.625 -179.505 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.555 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.772 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.512 0.672 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.55 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 19.7 mm100 -124.68 -156.16 0.71 Allowed 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 122.037 0.922 . . . . 0.0 111.405 -177.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.888 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.97 38.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 CA-C-O 121.816 0.817 . . . . 0.0 110.117 -178.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.486 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.81 -47.36 2.8 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.402 -1.436 . . . . 0.0 107.437 177.184 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.838 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.9 -12.65 7.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.768 178.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.827 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.74 -99.15 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 121.382 0.611 . . . . 0.0 112.381 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.788 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.04 -10.43 0.81 Allowed 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.322 -0.861 . . . . 0.0 109.314 179.33 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.652 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.14 -35.29 71.65 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 105.513 -2.032 . . . . 0.0 105.513 176.246 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.652 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 2.8 m-80 -75.03 -22.34 58.5 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.003 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.712 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -92.7 -14.74 27.6 Favored 'General case' 0 C--N 1.286 -2.156 0 N-CA-C 105.506 -2.035 . . . . 0.0 105.506 175.827 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.788 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.3 ttm180 -83.61 -46.67 12.1 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 177.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.552 ' HG2' ' C ' ' A' ' 9' ' ' ASN . 8.7 ptp -51.51 -28.91 14.9 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 122.31 1.052 . . . . 0.0 108.523 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.652 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -80.98 45.1 0.8 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.672 178.685 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.629 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -110.97 -161.95 0.77 Allowed 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 122.604 1.193 . . . . 0.0 113.513 -176.663 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.641 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.01 -1.4 8.82 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.549 -179.665 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.543 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.715 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.385 0.612 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.55 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 21.8 mm100 -127.97 -156.42 0.75 Allowed 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.026 0.917 . . . . 0.0 111.449 -177.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.88 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.8 38.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 CA-C-O 121.725 0.774 . . . . 0.0 110.189 -178.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.472 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.73 -48.0 2.78 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.411 -1.431 . . . . 0.0 107.518 177.166 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.846 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.3 pp -121.12 -12.46 8.72 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.721 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.823 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.28 -98.57 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.392 0.615 . . . . 0.0 112.347 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.786 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.97 -9.28 0.79 Allowed 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.246 -0.908 . . . . 0.0 109.265 179.413 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.661 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -72.19 -35.43 68.96 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 176.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.707 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.63 -22.63 58.82 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 122.047 0.927 . . . . 0.0 108.573 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.743 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -92.26 -15.74 27.06 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 176.205 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.786 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.4 ttm180 -81.42 -46.26 14.86 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 177.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.707 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.6 ptm -50.58 -30.04 12.26 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-O 122.447 1.117 . . . . 0.0 108.317 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.38 44.11 0.58 Allowed 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.747 178.824 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.626 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -111.27 -162.03 0.78 Allowed 'General case' 0 C--N 1.304 -1.386 0 CA-C-O 122.535 1.159 . . . . 0.0 113.418 -176.896 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.646 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.32 -9.85 8.05 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.901 -179.263 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HD2' ' CZ3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.719 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.32 0.581 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.558 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 7.0 mm100 -116.16 -138.25 0.37 Allowed 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.591 0.71 . . . . 0.0 110.968 -177.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.845 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.1 mp 70.45 34.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 CA-C-O 121.759 0.79 . . . . 0.0 109.936 -178.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.465 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -112.83 -46.72 3.1 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.445 -1.409 . . . . 0.0 107.56 177.177 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.838 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.76 -12.64 7.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.714 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.834 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.76 -98.49 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.408 0.623 . . . . 0.0 112.439 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.812 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.32 -9.71 0.74 Allowed 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.336 -0.852 . . . . 0.0 109.467 179.439 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.681 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.98 -35.81 69.61 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 105.29 -2.115 . . . . 0.0 105.29 176.265 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.76 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.58 -24.36 58.9 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.721 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -90.31 -14.51 33.02 Favored 'General case' 0 C--N 1.288 -2.078 0 N-CA-C 105.578 -2.008 . . . . 0.0 105.578 176.078 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.812 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.7 ttm180 -82.85 -45.25 14.49 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.055 178.226 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.76 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 24.9 ptt? -52.53 -28.46 20.74 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 122.376 1.084 . . . . 0.0 108.355 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -82.61 46.59 1.08 Allowed 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.834 178.601 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.592 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -110.89 -162.78 0.81 Allowed 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 122.67 1.224 . . . . 0.0 113.62 -176.625 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.659 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.58 -1.61 9.01 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.512 -179.583 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.767 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.718 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.446 0.641 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.556 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.3 mm100 -126.65 -154.99 0.66 Allowed 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 121.991 0.9 . . . . 0.0 111.28 -177.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.877 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.18 38.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 CA-C-O 121.76 0.791 . . . . 0.0 110.088 -178.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.471 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.79 -47.47 2.8 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.459 -1.4 . . . . 0.0 107.498 177.252 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.844 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.44 -12.41 8.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.868 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.824 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.23 -98.78 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.341 0.591 . . . . 0.0 112.382 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.78 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.62 -9.58 0.78 Allowed 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.262 -0.899 . . . . 0.0 109.265 179.304 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.651 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -72.03 -35.15 69.3 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 176.206 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.695 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.6 m-80 -74.42 -22.59 59.07 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 122.116 0.96 . . . . 0.0 108.615 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.714 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -93.05 -15.0 26.63 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 176.144 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.78 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -82.5 -45.24 14.95 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 177.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.695 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 14.6 ptm -50.66 -30.63 14.07 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 122.438 1.113 . . . . 0.0 108.178 178.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -77.54 45.13 0.47 Allowed 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.455 178.441 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.69 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -113.6 -164.28 0.91 Allowed 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 122.817 1.294 . . . . 0.0 114.028 -176.277 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.654 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.39 11.54 6.89 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 114.415 -1.266 . . . . 0.0 109.246 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.545 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 12.8 mmmt . . . . . 0 N--CA 1.496 1.862 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.948 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.478 0.656 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.541 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 22.0 mm100 -126.65 -158.1 0.84 Allowed 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 122.06 0.933 . . . . 0.0 111.575 -177.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.891 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.83 39.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 CA-C-O 121.791 0.805 . . . . 0.0 110.157 -178.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.49 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.96 -47.69 2.77 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.374 -1.454 . . . . 0.0 107.423 177.193 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.835 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.12 -12.17 7.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.687 178.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.826 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.88 -98.66 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.312 0.577 . . . . 0.0 112.42 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.798 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.6 -9.43 0.74 Allowed 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.36 -0.837 . . . . 0.0 109.352 179.38 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.653 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -72.21 -35.43 68.89 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 176.183 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.717 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.66 -22.8 58.69 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.024 0.916 . . . . 0.0 108.547 178.047 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.74 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 2.1 ptm180 -92.23 -15.67 27.2 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 176.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.798 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.8 ttm180 -81.47 -45.59 15.78 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 177.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.717 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 10.7 ptm -51.39 -30.02 17.66 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 122.425 1.107 . . . . 0.0 108.293 179.072 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.52 45.7 0.69 Allowed 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.785 178.841 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.631 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -112.84 -165.48 1.0 Allowed 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 122.758 1.266 . . . . 0.0 114.096 -176.454 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.662 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.76 12.03 6.76 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.257 -179.658 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.541 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 26.7 mmmt . . . . . 0 N--CA 1.496 1.83 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.921 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.366 0.603 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.53 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 26.2 mm100 -131.33 -159.99 1.01 Allowed 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 122.111 0.958 . . . . 0.0 111.789 -177.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.899 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.84 39.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.304 -178.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.48 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -116.08 -48.1 2.74 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.382 -1.449 . . . . 0.0 107.366 177.218 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.836 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.05 -11.83 8.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.741 178.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.822 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.96 -98.94 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.418 0.627 . . . . 0.0 112.352 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.791 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.18 -10.22 0.81 Allowed 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.247 -0.908 . . . . 0.0 109.253 179.379 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.66 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.51 -35.38 70.72 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 176.333 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.706 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.47 -22.82 58.91 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 122.058 0.932 . . . . 0.0 108.539 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.715 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -92.7 -15.08 27.14 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 176.169 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.791 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.6 ttm180 -82.29 -45.15 15.34 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 177.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.706 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.1 ptm -51.16 -30.34 16.47 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-O 122.497 1.141 . . . . 0.0 108.205 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -78.51 45.37 0.57 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.539 178.669 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.675 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -113.7 -164.91 0.96 Allowed 'General case' 0 C--N 1.305 -1.331 0 CA-C-O 122.822 1.296 . . . . 0.0 114.094 -176.396 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.66 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -128.18 13.31 6.67 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 114.376 -1.284 . . . . 0.0 109.213 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.545 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 12.6 mmmt . . . . . 0 N--CA 1.497 1.875 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.907 -179.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.358 0.599 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.532 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 25.2 mm100 -130.58 -159.56 0.97 Allowed 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 122.102 0.953 . . . . 0.0 111.708 -177.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.897 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.76 39.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.269 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.483 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -116.2 -47.96 2.74 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.453 -1.404 . . . . 0.0 107.47 177.141 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.838 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.98 -12.17 8.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.676 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.822 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.82 -98.89 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.406 0.622 . . . . 0.0 112.375 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.792 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.29 -10.15 0.83 Allowed 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.226 -0.921 . . . . 0.0 109.332 179.318 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.65 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.51 -35.4 70.74 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 176.27 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.709 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.55 -22.84 58.8 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.027 0.917 . . . . 0.0 108.538 178.026 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.714 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.8 ptm180 -92.65 -15.2 27.08 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 176.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.792 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -81.96 -45.44 15.38 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.709 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 27.6 ptm -51.01 -30.47 15.36 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 122.518 1.152 . . . . 0.0 108.277 178.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -78.68 45.54 0.6 Allowed 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.561 178.682 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.663 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -113.34 -165.05 0.96 Allowed 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 122.838 1.304 . . . . 0.0 114.162 -176.402 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.661 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -128.16 12.64 6.62 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.386 -1.279 . . . . 0.0 109.162 -179.786 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.547 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 13.5 mmmm . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 118.089 -0.958 . . . . 0.0 110.946 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.4 0.619 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.556 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.2 mm100 -127.33 -155.15 0.68 Allowed 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 121.995 0.902 . . . . 0.0 111.315 -177.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.878 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.81 38.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 CA-C-O 121.817 0.818 . . . . 0.0 110.126 -178.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.475 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.68 -47.17 2.82 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.299 -1.501 . . . . 0.0 107.595 177.068 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.845 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.53 -13.04 8.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.818 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.826 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.83 -98.66 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.291 0.567 . . . . 0.0 112.338 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.782 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.62 -10.15 0.92 Allowed 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.372 -0.83 . . . . 0.0 109.344 179.315 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.643 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.32 -35.26 71.16 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 176.175 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.699 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.63 -22.63 58.82 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 122.048 0.927 . . . . 0.0 108.57 178.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.715 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.7 ptm180 -92.97 -15.08 26.65 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 105.699 -1.963 . . . . 0.0 105.699 176.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.782 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -82.22 -45.1 15.51 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.699 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 27.4 ptm -51.47 -30.11 18.7 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 122.535 1.159 . . . . 0.0 108.273 179.034 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -78.4 43.95 0.49 Allowed 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.765 178.749 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.64 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -111.91 -162.04 0.78 Allowed 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.549 1.166 . . . . 0.0 113.416 -176.774 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.648 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.17 -7.75 8.25 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.841 -179.399 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.546 ' HD2' ' CZ3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.836 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 . . . . . 0 N--CA 1.494 1.763 0 CA-C-O 121.369 0.604 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.532 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 26.3 mm100 -132.09 -160.33 1.04 Allowed 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 122.175 0.988 . . . . 0.0 111.815 -177.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.89 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.83 39.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.205 -178.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.481 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.46 -47.94 2.72 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.466 -1.397 . . . . 0.0 107.4 177.176 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.842 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.23 -12.39 8.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.747 178.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.821 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.04 -98.96 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 121.43 0.633 . . . . 0.0 112.349 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.795 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.35 -9.82 0.77 Allowed 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.161 -0.962 . . . . 0.0 109.328 179.303 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.65 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.72 -35.59 70.23 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 176.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.751 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.38 -23.88 59.06 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.733 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.3 ptm180 -91.1 -14.32 31.44 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 176.149 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.795 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.6 ttm180 -83.29 -45.22 14.06 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 114.755 -1.111 . . . . 0.0 108.017 178.011 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.751 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 23.6 ptt? -51.89 -28.69 17.01 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-O 122.335 1.064 . . . . 0.0 108.303 179.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -80.9 45.63 0.83 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.719 178.435 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.633 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -112.09 -162.3 0.79 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 122.575 1.179 . . . . 0.0 113.581 -176.674 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.644 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.06 -1.52 8.77 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.635 -179.579 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.538 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.739 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.515 0.674 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.542 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.4 mm100 -125.37 -156.94 0.76 Allowed 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.999 0.904 . . . . 0.0 111.581 -177.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.893 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.17 38.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 CA-C-O 121.862 0.839 . . . . 0.0 110.181 -178.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.485 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.78 -48.07 2.77 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.393 -1.442 . . . . 0.0 107.445 177.237 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.838 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.98 -12.01 8.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.652 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.823 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.99 -98.98 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.387 0.613 . . . . 0.0 112.337 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.8 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.25 -9.87 0.76 Allowed 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.362 -0.836 . . . . 0.0 109.345 179.359 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.663 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.77 -35.47 70.07 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 176.337 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.709 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.63 -22.94 58.66 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 122.047 0.927 . . . . 0.0 108.515 178.019 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.713 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -92.42 -15.18 27.53 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 176.151 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.8 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.2 ttm180 -82.02 -45.53 15.18 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 177.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.709 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 12.4 ptm -51.1 -30.08 15.06 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 122.382 1.087 . . . . 0.0 108.233 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -80.15 45.62 0.75 Allowed 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.729 178.772 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.623 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.09 -162.19 0.78 Allowed 'General case' 0 C--N 1.304 -1.401 0 CA-C-O 122.523 1.154 . . . . 0.0 113.716 -176.609 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.648 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.42 -2.94 8.92 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.609 -179.637 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.548 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.793 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.516 0.674 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.545 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.6 mm100 -126.19 -156.84 0.76 Allowed 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 122.071 0.939 . . . . 0.0 111.538 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.891 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.2 38.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-O 121.777 0.799 . . . . 0.0 110.089 -178.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.489 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.93 -47.6 2.78 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.476 -1.39 . . . . 0.0 107.445 177.23 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.84 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.94 -12.12 8.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.745 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.822 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.16 -99.01 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.36 0.6 . . . . 0.0 112.36 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.796 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.33 -9.71 0.74 Allowed 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.289 -0.882 . . . . 0.0 109.291 179.329 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.652 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.92 -35.31 69.63 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 176.313 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.702 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.63 -22.67 58.79 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 122.052 0.929 . . . . 0.0 108.543 178.045 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.713 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -92.85 -15.0 26.98 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 105.692 -1.966 . . . . 0.0 105.692 176.2 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.796 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -82.33 -45.47 14.88 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.702 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 19.1 ptm -51.08 -30.23 15.34 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 122.451 1.12 . . . . 0.0 108.267 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.33 45.98 0.7 Allowed 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.661 178.742 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.649 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -113.15 -165.42 0.99 Allowed 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 122.829 1.299 . . . . 0.0 114.118 -176.365 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.653 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.64 13.29 6.95 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 114.399 -1.273 . . . . 0.0 109.276 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.551 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 13.4 mmmm . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.926 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.4 0.619 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.544 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 24.3 mm100 -130.04 -158.38 0.89 Allowed 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 122.147 0.975 . . . . 0.0 111.512 -177.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.891 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.81 39.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 CA-C-O 121.834 0.825 . . . . 0.0 110.194 -178.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.478 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.14 -47.73 2.75 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.444 -1.41 . . . . 0.0 107.424 177.143 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.84 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.65 -12.43 8.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.71 178.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.824 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.96 -98.96 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.425 0.631 . . . . 0.0 112.294 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.789 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.27 -10.04 0.8 Allowed 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.292 -0.88 . . . . 0.0 109.296 179.411 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.656 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.59 -35.45 70.54 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 176.21 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.7 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.6 -22.57 58.89 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.083 0.944 . . . . 0.0 108.528 178.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.718 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -92.84 -15.21 26.74 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 176.199 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.789 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -82.01 -45.45 15.3 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 177.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.7 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 27.3 ptm -51.06 -30.27 15.25 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 122.39 1.091 . . . . 0.0 108.203 178.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.47 45.32 0.66 Allowed 'General case' 0 N--CA 1.493 1.7 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.639 178.747 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.633 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.61 -162.43 0.8 Allowed 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 122.645 1.212 . . . . 0.0 113.632 -176.653 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.647 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.19 -0.65 8.83 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.609 -179.594 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.771 -179.503 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.437 0.637 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.547 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 24.3 mm100 -130.23 -159.59 0.97 Allowed 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 122.081 0.943 . . . . 0.0 111.499 -177.84 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.889 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.6 39.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.304 -178.628 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.481 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -116.27 -47.45 2.75 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.474 -1.391 . . . . 0.0 107.489 177.169 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.838 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.85 -12.36 8.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.665 178.836 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.825 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.1 -98.95 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 121.344 0.592 . . . . 0.0 112.35 -179.671 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.786 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.2 -9.92 0.76 Allowed 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.25 -0.906 . . . . 0.0 109.293 179.328 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.654 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.64 -35.46 70.41 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 176.232 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.7 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.54 -22.65 58.9 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 122.123 0.963 . . . . 0.0 108.557 178.073 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.718 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -92.8 -15.18 26.84 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 176.178 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.786 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -82.03 -45.52 15.19 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 177.88 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.7 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.8 ptm -50.74 -30.3 13.61 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 122.462 1.125 . . . . 0.0 108.238 178.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -78.86 44.92 0.57 Allowed 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.49 178.593 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.665 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -112.08 -161.52 0.76 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 122.655 1.217 . . . . 0.0 113.66 -176.504 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.646 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.97 -0.01 9.06 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.452 -179.762 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.525 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.664 -179.541 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.413 0.625 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.531 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 26.9 mm100 -132.16 -161.23 1.11 Allowed 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 122.189 0.995 . . . . 0.0 111.812 -177.632 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.892 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.39 39.92 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.271 -178.622 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.479 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.57 -47.88 2.71 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.378 -1.451 . . . . 0.0 107.389 177.195 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.842 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.46 -12.34 8.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.767 178.853 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.824 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.07 -99.12 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.408 0.623 . . . . 0.0 112.365 -179.616 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.786 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.24 -10.29 0.85 Allowed 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.266 -0.896 . . . . 0.0 109.216 179.286 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.647 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.21 -35.52 71.56 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 176.24 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.609 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 2.7 m-80 -74.76 -22.64 58.66 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 122.027 0.918 . . . . 0.0 108.526 178.022 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.709 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.8 ptm180 -92.33 -14.21 29.1 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 175.853 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.786 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.2 ttm180 -84.19 -45.17 13.22 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.841 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.592 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 12.6 ptp -52.41 -28.71 20.91 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-O 122.291 1.043 . . . . 0.0 108.418 179.224 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.609 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -80.43 44.99 0.73 Allowed 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.598 178.724 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.637 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.33 -161.66 0.76 Allowed 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 122.601 1.191 . . . . 0.0 113.589 -176.661 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.641 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.06 -1.41 8.79 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.611 -179.76 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.783 -179.578 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.447 0.642 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.563 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.1 mm100 -126.51 -153.87 0.59 Allowed 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.962 0.887 . . . . 0.0 111.355 -177.779 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.866 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.6 38.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 CA-C-O 121.733 0.778 . . . . 0.0 110.09 -178.491 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.479 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.8 -47.03 2.81 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.524 -1.36 . . . . 0.0 107.5 177.136 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.84 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.55 -12.56 7.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.669 178.885 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.831 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.73 -99.01 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 121.386 0.612 . . . . 0.0 112.42 -179.695 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.782 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.15 -10.3 0.82 Allowed 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.255 -0.903 . . . . 0.0 109.229 179.327 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.651 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.16 -35.99 71.86 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 105.268 -2.123 . . . . 0.0 105.268 176.275 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.59 ' HA ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -73.82 -25.05 59.9 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.047 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.723 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -89.59 -14.02 35.93 Favored 'General case' 0 C--N 1.288 -2.08 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 175.898 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.782 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.4 ttm180 -84.43 -48.79 9.28 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 177.8 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.749 ' HG3' ' HE3' ' A' ' 13' ' ' LYS . 10.1 ptp -47.05 -33.98 5.37 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 179.208 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.749 ' HE3' ' HG3' ' A' ' 12' ' ' MET 0.267 0.1 OUTLIER -67.1 37.72 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.168 176.303 . . . . . . . . 4 4 . 1 . 023 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.677 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -112.53 -162.58 0.8 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 120.765 -1.209 . . . . 0.0 113.868 -176.207 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.661 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.68 -6.0 8.06 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.949 -179.164 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HD2' ' CZ3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.726 -179.55 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.416 0.627 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.547 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 19.5 mm100 -125.9 -153.32 0.56 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 122.018 0.913 . . . . 0.0 111.306 -177.74 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.89 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.62 38.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 CA-C-O 121.835 0.826 . . . . 0.0 110.145 -178.486 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.481 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.3 -47.47 2.84 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.466 -1.396 . . . . 0.0 107.462 177.249 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.837 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.66 -11.96 7.54 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.611 178.909 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.827 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.06 -98.98 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.318 0.58 . . . . 0.0 112.473 -179.674 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.8 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -55.95 -10.16 0.73 Allowed 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.353 -0.842 . . . . 0.0 109.337 179.349 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.666 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.5 -35.91 70.92 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 176.274 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.712 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.24 -23.16 59.11 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 122.029 0.919 . . . . 0.0 108.565 178.082 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.711 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -92.22 -15.42 27.55 Favored 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 176.183 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.8 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -81.67 -45.26 16.01 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 177.921 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.712 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 24.0 ptm -51.38 -30.14 17.95 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 122.466 1.127 . . . . 0.0 108.24 179.051 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -80.11 45.82 0.76 Allowed 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.702 178.775 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.623 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.3 -161.96 0.77 Allowed 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 122.522 1.153 . . . . 0.0 113.751 -176.566 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.648 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.65 -1.72 8.96 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 114.913 -1.039 . . . . 0.0 109.607 -179.708 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.55 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 117.997 -1.002 . . . . 0.0 110.655 -179.642 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.422 0.629 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.553 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 17.5 mm100 -123.79 -151.85 0.49 Allowed 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.865 0.841 . . . . 0.0 111.3 -177.747 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.885 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.97 37.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 CA-C-O 121.78 0.8 . . . . 0.0 110.052 -178.507 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.481 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.39 -47.47 2.83 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.458 -1.401 . . . . 0.0 107.455 177.193 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.841 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.29 -12.42 7.7 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.693 178.873 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.826 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.75 -98.81 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.446 0.641 . . . . 0.0 112.437 -179.667 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.801 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.22 -10.33 0.85 Allowed 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.338 -0.851 . . . . 0.0 109.296 179.406 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.668 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.34 -35.15 71.07 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 176.276 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.655 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 2.8 m-80 -75.23 -22.54 57.81 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.016 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.716 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -92.54 -14.46 28.32 Favored 'General case' 0 C--N 1.287 -2.136 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 175.893 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.801 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.2 ttm180 -83.88 -46.47 12.1 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.868 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.541 ' HG2' ' C ' ' A' ' 9' ' ' ASN . 11.6 ptp -52.21 -28.58 18.99 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 122.229 1.014 . . . . 0.0 108.544 179.296 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.655 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -81.8 45.53 0.91 Allowed 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.74 178.729 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.609 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -110.73 -161.88 0.77 Allowed 'General case' 0 C--N 1.304 -1.386 0 CA-C-O 122.577 1.18 . . . . 0.0 113.492 -176.653 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.638 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.65 -3.3 8.78 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.674 -179.751 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.549 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.862 -179.545 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.455 0.645 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.54 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 23.7 mm100 -129.56 -159.8 0.99 Allowed 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 122.161 0.981 . . . . 0.0 111.648 -177.679 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.887 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.61 39.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.211 -178.633 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.476 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.09 -47.45 2.77 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.423 -1.423 . . . . 0.0 107.451 177.082 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.836 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.49 -12.12 7.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.687 178.914 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.834 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.8 -99.5 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.416 0.627 . . . . 0.0 112.376 -179.588 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.799 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -55.63 -10.38 0.68 Allowed 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.194 -0.941 . . . . 0.0 109.328 179.289 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.651 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -71.33 -35.45 71.21 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 105.529 -2.026 . . . . 0.0 105.529 176.337 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.691 ' O ' ' HG2' ' A' ' 12' ' ' MET . 3.0 m-80 -74.68 -22.58 58.8 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.045 0.926 . . . . 0.0 108.546 178.101 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.701 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.7 ptm180 -93.39 -15.36 25.75 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 105.583 -2.006 . . . . 0.0 105.583 176.257 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.799 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.8 ttm180 -81.68 -45.72 15.33 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 177.81 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.691 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.4 ptm -50.25 -30.95 12.84 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 122.495 1.14 . . . . 0.0 108.311 179.013 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -77.22 44.81 0.43 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.619 178.611 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.696 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -115.88 -166.2 1.12 Allowed 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 122.972 1.368 . . . . 0.0 114.353 -176.338 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.675 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -130.06 25.86 5.22 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 113.938 -1.483 . . . . 0.0 108.145 179.498 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.527 ' HG2' ' HB3' ' A' ' 14' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.18 -178.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 121.433 0.635 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.553 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 19.8 mm100 -126.86 -152.6 0.52 Allowed 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.939 0.876 . . . . 0.0 111.111 -177.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.885 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.32 37.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 CA-C-O 121.819 0.819 . . . . 0.0 110.17 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.475 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.18 -48.13 2.83 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.412 -1.43 . . . . 0.0 107.434 177.193 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.838 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.51 -12.28 8.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.724 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.825 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.17 -98.3 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.383 0.611 . . . . 0.0 112.362 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.796 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.86 -9.37 0.79 Allowed 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.274 -0.891 . . . . 0.0 109.37 179.332 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.666 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -72.31 -35.74 68.73 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 176.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.699 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.41 -22.34 59.21 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 122.094 0.949 . . . . 0.0 108.498 178.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.718 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.4 ptm180 -93.13 -15.61 25.83 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 176.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.796 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -81.47 -45.41 16.04 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 177.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.699 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 6.6 ptm -50.74 -30.28 13.56 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 122.413 1.101 . . . . 0.0 108.207 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -78.59 45.39 0.58 Allowed 'General case' 0 N--CA 1.493 1.675 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.563 178.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.667 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -113.4 -165.33 0.99 Allowed 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 122.825 1.298 . . . . 0.0 114.105 -176.338 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.649 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.16 13.44 7.21 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.109 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.543 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 26.2 mmmt . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.839 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.351 0.596 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.541 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 23.5 mm100 -130.0 -156.51 0.76 Allowed 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 122.057 0.932 . . . . 0.0 111.616 -177.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.886 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.56 38.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 CA-C-O 121.897 0.856 . . . . 0.0 110.238 -178.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.476 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.25 -47.43 2.76 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.369 -1.457 . . . . 0.0 107.434 177.134 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.833 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.34 -12.0 7.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.742 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.826 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.01 -99.0 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.34 0.59 . . . . 0.0 112.406 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.801 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.14 -9.87 0.73 Allowed 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.308 -0.87 . . . . 0.0 109.282 179.367 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.661 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.93 -35.46 69.63 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 105.391 -2.078 . . . . 0.0 105.391 176.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.707 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.7 -22.89 58.6 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 122.007 0.908 . . . . 0.0 108.563 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.721 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -92.38 -15.49 27.2 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 176.155 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.801 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -81.68 -45.44 15.74 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.707 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 11.8 ptm -51.59 -29.95 19.3 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 122.455 1.121 . . . . 0.0 108.362 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -78.89 43.55 0.51 Allowed 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.875 178.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.627 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -111.99 -161.51 0.76 Allowed 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 122.533 1.159 . . . . 0.0 113.47 -176.86 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.652 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.69 -10.35 8.32 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.773 -179.488 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.589 ' HD2' ' CZ3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.651 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.699 0.762 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.561 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 11.3 mm100 -114.69 -146.56 0.41 Allowed 'General case' 0 C--N 1.3 -1.579 0 CA-C-O 121.806 0.812 . . . . 0.0 110.926 -178.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.871 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.1 mp 70.06 36.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 CA-C-O 121.839 0.828 . . . . 0.0 109.964 -178.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.478 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -114.74 -47.76 2.88 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.508 -1.37 . . . . 0.0 107.45 177.122 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.844 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.12 -12.01 8.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.593 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.832 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.16 -99.0 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 121.385 0.612 . . . . 0.0 112.287 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.805 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.16 -9.87 0.73 Allowed 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.33 -0.856 . . . . 0.0 109.374 179.411 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.678 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.81 -35.25 69.89 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 176.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.706 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.97 -22.8 58.33 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 122.126 0.965 . . . . 0.0 108.567 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.699 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 2.1 ptm180 -92.6 -15.37 26.97 Favored 'General case' 0 C--N 1.29 -2.012 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 176.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.805 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.8 ttm180 -81.77 -45.89 14.98 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 177.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.706 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 11.6 ptm -50.59 -30.5 13.41 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 122.461 1.124 . . . . 0.0 108.207 179.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.21 45.16 0.62 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.539 178.679 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.661 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -111.68 -161.27 0.75 Allowed 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 122.551 1.167 . . . . 0.0 113.515 -176.601 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.645 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -121.74 -0.81 9.57 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.359 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.525 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.689 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 121.408 0.623 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.527 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 27.7 mm100 -132.87 -162.65 1.26 Allowed 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 122.214 1.007 . . . . 0.0 111.828 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.895 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.06 39.74 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.404 -178.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.477 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.44 -47.88 2.72 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.363 -1.461 . . . . 0.0 107.401 177.124 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.839 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.72 -11.84 8.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.674 178.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.826 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.34 -98.88 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.352 0.596 . . . . 0.0 112.328 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.79 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.47 -9.79 0.79 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.262 -0.899 . . . . 0.0 109.252 179.318 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.651 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.86 -35.29 69.77 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 176.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.701 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.6 m-80 -74.64 -22.52 58.87 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 122.063 0.935 . . . . 0.0 108.543 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.714 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -93.0 -15.21 26.45 Favored 'General case' 0 C--N 1.289 -2.058 0 N-CA-C 105.608 -1.997 . . . . 0.0 105.608 176.247 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.79 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -82.11 -45.38 15.27 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 177.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.701 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 10.3 ptm -51.03 -30.27 14.94 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 122.471 1.129 . . . . 0.0 108.263 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -78.26 44.76 0.51 Allowed 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.632 178.699 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.663 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -113.22 -164.99 0.96 Allowed 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 122.851 1.31 . . . . 0.0 113.977 -176.424 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.654 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.66 11.06 6.69 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 114.398 -1.273 . . . . 0.0 109.303 -179.764 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.549 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 26.6 mmmt . . . . . 0 N--CA 1.497 1.918 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.868 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.479 0.656 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.542 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 22.6 mm100 -127.55 -158.47 0.87 Allowed 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 122.052 0.929 . . . . 0.0 111.472 -177.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.892 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.82 39.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 CA-C-O 121.794 0.806 . . . . 0.0 110.138 -178.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.488 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.88 -47.76 2.78 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.411 -1.431 . . . . 0.0 107.453 177.152 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.835 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.93 -12.35 8.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.738 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.823 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.85 -98.83 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 121.341 0.591 . . . . 0.0 112.419 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.799 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.24 -9.9 0.76 Allowed 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.336 -0.853 . . . . 0.0 109.346 179.33 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.657 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.81 -35.55 69.99 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 176.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.704 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.58 -22.8 58.78 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 178.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.717 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -92.57 -15.4 26.98 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 176.169 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.799 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -81.85 -45.37 15.61 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 177.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.704 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 18.5 ptm -51.31 -30.08 17.06 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 122.437 1.113 . . . . 0.0 108.266 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.69 45.16 0.67 Allowed 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.726 178.758 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.63 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.4 -162.38 0.79 Allowed 'General case' 0 C--N 1.305 -1.352 0 CA-C-O 122.572 1.177 . . . . 0.0 113.57 -176.67 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.647 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.01 -2.7 8.65 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.687 -179.553 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.751 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.44 0.638 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.548 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.7 mm100 -127.18 -157.08 0.79 Allowed 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 122.054 0.93 . . . . 0.0 111.595 -177.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.883 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.36 39.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 CA-C-O 121.841 0.829 . . . . 0.0 110.209 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.49 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.99 -47.85 2.76 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.465 -1.397 . . . . 0.0 107.379 177.247 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.835 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.36 -12.14 7.75 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.683 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.827 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.79 -99.08 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 121.343 0.592 . . . . 0.0 112.451 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.806 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.08 -9.98 0.73 Allowed 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.365 -0.834 . . . . 0.0 109.327 179.36 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.658 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.66 -35.6 70.4 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 105.423 -2.066 . . . . 0.0 105.423 176.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.737 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.75 -24.57 58.73 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.697 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -90.14 -15.05 32.36 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 176.016 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.806 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.1 ttm180 -82.66 -46.65 12.98 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.737 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 25.5 ptm -50.97 -33.66 25.62 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 107.786 -1.191 . . . . 0.0 107.786 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.65 ' HE3' ' CG ' ' A' ' 12' ' ' MET . 2.2 mmtp -68.75 39.36 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.917 177.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.695 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -111.58 -162.9 0.82 Allowed 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.714 -1.241 . . . . 0.0 113.776 -176.302 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.657 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.48 -2.77 8.42 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.807 -179.345 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.535 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 117.932 -1.033 . . . . 0.0 110.712 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.339 0.59 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.532 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 23.1 mm100 -127.09 -160.26 0.99 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 122.135 0.969 . . . . 0.0 111.787 -177.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.896 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.37 39.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.185 -178.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.498 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -116.11 -47.86 2.75 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.442 -1.411 . . . . 0.0 107.366 177.226 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.832 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.74 -11.69 7.57 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.593 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.827 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.82 -99.18 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.304 0.573 . . . . 0.0 112.415 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.806 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -55.82 -10.62 0.78 Allowed 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.32 -0.863 . . . . 0.0 109.374 179.371 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.656 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -70.86 -35.72 72.51 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 176.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.756 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.38 -24.36 59.13 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 177.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.697 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -91.0 -13.72 32.79 Favored 'General case' 0 C--N 1.289 -2.063 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 176.197 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.806 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.1 ttm180 -83.75 -44.88 13.96 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.756 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 25.2 ptt? -52.5 -28.77 21.83 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 122.389 1.09 . . . . 0.0 108.357 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -80.61 45.36 0.78 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.793 178.548 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.613 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -111.87 -162.26 0.79 Allowed 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 122.566 1.174 . . . . 0.0 113.403 -176.851 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.646 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.74 -5.96 8.58 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.787 -179.408 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.545 ' HD2' ' CZ3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.674 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.349 0.595 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.548 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 21.0 mm100 -125.57 -156.43 0.73 Allowed 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 122.045 0.926 . . . . 0.0 111.484 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.886 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.54 38.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 CA-C-O 121.81 0.814 . . . . 0.0 110.202 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.49 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.84 -47.29 2.8 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.466 -1.396 . . . . 0.0 107.396 177.201 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.833 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.37 -12.37 7.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.643 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.826 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.66 -98.72 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.392 0 CA-C-O 121.364 0.602 . . . . 0.0 112.471 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.795 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.32 -9.76 0.75 Allowed 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.322 -0.861 . . . . 0.0 109.383 179.437 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.654 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.8 -35.58 70.02 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 176.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.751 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.51 -23.54 58.85 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 122.056 0.931 . . . . 0.0 108.5 177.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.732 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.4 ptm180 -91.25 -15.17 29.62 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 176.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.795 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 4.7 ttm180 -82.27 -44.74 15.9 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 114.696 -1.138 . . . . 0.0 107.977 177.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.751 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 20.6 ptt? -52.18 -28.46 18.29 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 122.357 1.075 . . . . 0.0 108.226 179.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -80.28 45.06 0.72 Allowed 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.63 178.394 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.639 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.79 -161.92 0.77 Allowed 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.504 1.145 . . . . 0.0 113.623 -176.643 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.65 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.16 -2.29 8.63 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.625 -179.505 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.555 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.772 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.512 0.672 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.55 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 19.7 mm100 -124.68 -156.16 0.71 Allowed 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 122.037 0.922 . . . . 0.0 111.405 -177.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.888 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.97 38.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 CA-C-O 121.816 0.817 . . . . 0.0 110.117 -178.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.486 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.81 -47.36 2.8 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.402 -1.436 . . . . 0.0 107.437 177.184 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.838 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.9 -12.65 7.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.768 178.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.827 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.74 -99.15 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 121.382 0.611 . . . . 0.0 112.381 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.788 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.04 -10.43 0.81 Allowed 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.322 -0.861 . . . . 0.0 109.314 179.33 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.652 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.14 -35.29 71.65 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 105.513 -2.032 . . . . 0.0 105.513 176.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.652 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 2.8 m-80 -75.03 -22.34 58.5 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.712 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -92.7 -14.74 27.6 Favored 'General case' 0 C--N 1.286 -2.156 0 N-CA-C 105.506 -2.035 . . . . 0.0 105.506 175.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.788 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.3 ttm180 -83.61 -46.67 12.1 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 177.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.552 ' HG2' ' C ' ' A' ' 9' ' ' ASN . 8.7 ptp -51.51 -28.91 14.9 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 122.31 1.052 . . . . 0.0 108.523 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.652 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -80.98 45.1 0.8 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.672 178.685 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.629 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -110.97 -161.95 0.77 Allowed 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 122.604 1.193 . . . . 0.0 113.513 -176.663 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.641 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.01 -1.4 8.82 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.549 -179.665 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.543 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.715 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.385 0.612 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.55 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 21.8 mm100 -127.97 -156.42 0.75 Allowed 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.026 0.917 . . . . 0.0 111.449 -177.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.88 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.8 38.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 CA-C-O 121.725 0.774 . . . . 0.0 110.189 -178.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.472 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.73 -48.0 2.78 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.411 -1.431 . . . . 0.0 107.518 177.166 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.846 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.3 pp -121.12 -12.46 8.72 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.721 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.823 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.28 -98.57 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.392 0.615 . . . . 0.0 112.347 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.786 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.97 -9.28 0.79 Allowed 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.246 -0.908 . . . . 0.0 109.265 179.413 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.661 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -72.19 -35.43 68.96 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 176.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.707 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.63 -22.63 58.82 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 122.047 0.927 . . . . 0.0 108.573 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.743 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -92.26 -15.74 27.06 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 176.205 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.786 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.4 ttm180 -81.42 -46.26 14.86 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 177.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.707 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.6 ptm -50.58 -30.04 12.26 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-O 122.447 1.117 . . . . 0.0 108.317 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.38 44.11 0.58 Allowed 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.747 178.824 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.626 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -111.27 -162.03 0.78 Allowed 'General case' 0 C--N 1.304 -1.386 0 CA-C-O 122.535 1.159 . . . . 0.0 113.418 -176.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.646 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.32 -9.85 8.05 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.901 -179.263 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HD2' ' CZ3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.719 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.32 0.581 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.558 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 7.0 mm100 -116.16 -138.25 0.37 Allowed 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.591 0.71 . . . . 0.0 110.968 -177.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.845 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.1 mp 70.45 34.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 CA-C-O 121.759 0.79 . . . . 0.0 109.936 -178.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.465 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -112.83 -46.72 3.1 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.445 -1.409 . . . . 0.0 107.56 177.177 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.838 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.76 -12.64 7.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.714 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.834 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.76 -98.49 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.408 0.623 . . . . 0.0 112.439 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.812 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.32 -9.71 0.74 Allowed 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.336 -0.852 . . . . 0.0 109.467 179.439 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.681 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.98 -35.81 69.61 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 105.29 -2.115 . . . . 0.0 105.29 176.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.76 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.58 -24.36 58.9 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.721 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -90.31 -14.51 33.02 Favored 'General case' 0 C--N 1.288 -2.078 0 N-CA-C 105.578 -2.008 . . . . 0.0 105.578 176.078 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.812 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.7 ttm180 -82.85 -45.25 14.49 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.055 178.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.76 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 24.9 ptt? -52.53 -28.46 20.74 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 122.376 1.084 . . . . 0.0 108.355 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -82.61 46.59 1.08 Allowed 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.834 178.601 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.592 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -110.89 -162.78 0.81 Allowed 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 122.67 1.224 . . . . 0.0 113.62 -176.625 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.659 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.58 -1.61 9.01 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.512 -179.583 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.767 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.718 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.446 0.641 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.556 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.3 mm100 -126.65 -154.99 0.66 Allowed 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 121.991 0.9 . . . . 0.0 111.28 -177.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.877 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.18 38.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 CA-C-O 121.76 0.791 . . . . 0.0 110.088 -178.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.471 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.79 -47.47 2.8 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.459 -1.4 . . . . 0.0 107.498 177.252 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.844 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.44 -12.41 8.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.868 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.824 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.23 -98.78 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.341 0.591 . . . . 0.0 112.382 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.78 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.62 -9.58 0.78 Allowed 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.262 -0.899 . . . . 0.0 109.265 179.304 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.651 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -72.03 -35.15 69.3 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 176.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.695 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.6 m-80 -74.42 -22.59 59.07 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 122.116 0.96 . . . . 0.0 108.615 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.714 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -93.05 -15.0 26.63 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 176.144 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.78 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -82.5 -45.24 14.95 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 177.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.695 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 14.6 ptm -50.66 -30.63 14.07 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 122.438 1.113 . . . . 0.0 108.178 178.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -77.54 45.13 0.47 Allowed 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.455 178.441 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.69 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -113.6 -164.28 0.91 Allowed 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 122.817 1.294 . . . . 0.0 114.028 -176.277 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.654 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.39 11.54 6.89 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 114.415 -1.266 . . . . 0.0 109.246 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.545 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 12.8 mmmt . . . . . 0 N--CA 1.496 1.862 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.948 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.478 0.656 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.541 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 22.0 mm100 -126.65 -158.1 0.84 Allowed 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 122.06 0.933 . . . . 0.0 111.575 -177.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.891 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.83 39.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 CA-C-O 121.791 0.805 . . . . 0.0 110.157 -178.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.49 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.96 -47.69 2.77 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.374 -1.454 . . . . 0.0 107.423 177.193 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.835 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.12 -12.17 7.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.687 178.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.826 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.88 -98.66 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.312 0.577 . . . . 0.0 112.42 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.798 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.6 -9.43 0.74 Allowed 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.36 -0.837 . . . . 0.0 109.352 179.38 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.653 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -72.21 -35.43 68.89 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 176.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.717 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.66 -22.8 58.69 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.024 0.916 . . . . 0.0 108.547 178.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.74 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 2.1 ptm180 -92.23 -15.67 27.2 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 176.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.798 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.8 ttm180 -81.47 -45.59 15.78 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 177.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.717 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 10.7 ptm -51.39 -30.02 17.66 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 122.425 1.107 . . . . 0.0 108.293 179.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.52 45.7 0.69 Allowed 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.785 178.841 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.631 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -112.84 -165.48 1.0 Allowed 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 122.758 1.266 . . . . 0.0 114.096 -176.454 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.662 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.76 12.03 6.76 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.257 -179.658 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.541 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 26.7 mmmt . . . . . 0 N--CA 1.496 1.83 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.921 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.366 0.603 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.53 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 26.2 mm100 -131.33 -159.99 1.01 Allowed 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 122.111 0.958 . . . . 0.0 111.789 -177.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.899 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.84 39.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.304 -178.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.48 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -116.08 -48.1 2.74 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.382 -1.449 . . . . 0.0 107.366 177.218 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.836 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.05 -11.83 8.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.741 178.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.822 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.96 -98.94 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.418 0.627 . . . . 0.0 112.352 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.791 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.18 -10.22 0.81 Allowed 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.247 -0.908 . . . . 0.0 109.253 179.379 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.66 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.51 -35.38 70.72 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 176.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.706 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.47 -22.82 58.91 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 122.058 0.932 . . . . 0.0 108.539 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.715 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -92.7 -15.08 27.14 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 176.169 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.791 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.6 ttm180 -82.29 -45.15 15.34 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 177.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.706 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.1 ptm -51.16 -30.34 16.47 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-O 122.497 1.141 . . . . 0.0 108.205 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -78.51 45.37 0.57 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.539 178.669 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.675 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -113.7 -164.91 0.96 Allowed 'General case' 0 C--N 1.305 -1.331 0 CA-C-O 122.822 1.296 . . . . 0.0 114.094 -176.396 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.66 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -128.18 13.31 6.67 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 114.376 -1.284 . . . . 0.0 109.213 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.545 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 12.6 mmmt . . . . . 0 N--CA 1.497 1.875 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.907 -179.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.358 0.599 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.532 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 25.2 mm100 -130.58 -159.56 0.97 Allowed 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 122.102 0.953 . . . . 0.0 111.708 -177.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.897 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.76 39.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.269 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.483 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -116.2 -47.96 2.74 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.453 -1.404 . . . . 0.0 107.47 177.141 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.838 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.98 -12.17 8.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.676 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.822 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.82 -98.89 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.406 0.622 . . . . 0.0 112.375 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.792 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.29 -10.15 0.83 Allowed 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.226 -0.921 . . . . 0.0 109.332 179.318 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.65 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.51 -35.4 70.74 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 176.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.709 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.55 -22.84 58.8 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.027 0.917 . . . . 0.0 108.538 178.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.714 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.8 ptm180 -92.65 -15.2 27.08 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 176.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.792 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -81.96 -45.44 15.38 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.709 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 27.6 ptm -51.01 -30.47 15.36 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 122.518 1.152 . . . . 0.0 108.277 178.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -78.68 45.54 0.6 Allowed 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.561 178.682 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.663 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -113.34 -165.05 0.96 Allowed 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 122.838 1.304 . . . . 0.0 114.162 -176.402 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.661 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -128.16 12.64 6.62 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.386 -1.279 . . . . 0.0 109.162 -179.786 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.547 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 13.5 mmmm . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 118.089 -0.958 . . . . 0.0 110.946 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.4 0.619 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.556 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.2 mm100 -127.33 -155.15 0.68 Allowed 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 121.995 0.902 . . . . 0.0 111.315 -177.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.878 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.81 38.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 CA-C-O 121.817 0.818 . . . . 0.0 110.126 -178.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.475 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.68 -47.17 2.82 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.299 -1.501 . . . . 0.0 107.595 177.068 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.845 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.53 -13.04 8.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.818 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.826 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.83 -98.66 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.291 0.567 . . . . 0.0 112.338 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.782 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.62 -10.15 0.92 Allowed 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.372 -0.83 . . . . 0.0 109.344 179.315 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.643 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.32 -35.26 71.16 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 176.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.699 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.63 -22.63 58.82 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 122.048 0.927 . . . . 0.0 108.57 178.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.715 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.7 ptm180 -92.97 -15.08 26.65 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 105.699 -1.963 . . . . 0.0 105.699 176.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.782 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -82.22 -45.1 15.51 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.699 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 27.4 ptm -51.47 -30.11 18.7 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 122.535 1.159 . . . . 0.0 108.273 179.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -78.4 43.95 0.49 Allowed 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.765 178.749 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.64 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -111.91 -162.04 0.78 Allowed 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.549 1.166 . . . . 0.0 113.416 -176.774 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.648 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.17 -7.75 8.25 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.841 -179.399 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.546 ' HD2' ' CZ3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.836 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 . . . . . 0 N--CA 1.494 1.763 0 CA-C-O 121.369 0.604 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.532 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 26.3 mm100 -132.09 -160.33 1.04 Allowed 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 122.175 0.988 . . . . 0.0 111.815 -177.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.89 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.83 39.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.205 -178.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.481 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.46 -47.94 2.72 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.466 -1.397 . . . . 0.0 107.4 177.176 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.842 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.23 -12.39 8.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.747 178.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.821 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.04 -98.96 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 121.43 0.633 . . . . 0.0 112.349 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.795 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.35 -9.82 0.77 Allowed 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.161 -0.962 . . . . 0.0 109.328 179.303 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.65 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.72 -35.59 70.23 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 176.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.751 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.38 -23.88 59.06 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.733 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.3 ptm180 -91.1 -14.32 31.44 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 176.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.795 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.6 ttm180 -83.29 -45.22 14.06 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 114.755 -1.111 . . . . 0.0 108.017 178.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.751 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 23.6 ptt? -51.89 -28.69 17.01 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-O 122.335 1.064 . . . . 0.0 108.303 179.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -80.9 45.63 0.83 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.719 178.435 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.633 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -112.09 -162.3 0.79 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 122.575 1.179 . . . . 0.0 113.581 -176.674 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.644 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.06 -1.52 8.77 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.635 -179.579 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.538 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.739 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.515 0.674 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.542 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.4 mm100 -125.37 -156.94 0.76 Allowed 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.999 0.904 . . . . 0.0 111.581 -177.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.893 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.17 38.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 CA-C-O 121.862 0.839 . . . . 0.0 110.181 -178.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.485 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.78 -48.07 2.77 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.393 -1.442 . . . . 0.0 107.445 177.237 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.838 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.98 -12.01 8.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.652 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.823 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.99 -98.98 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.387 0.613 . . . . 0.0 112.337 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.8 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.25 -9.87 0.76 Allowed 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.362 -0.836 . . . . 0.0 109.345 179.359 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.663 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.77 -35.47 70.07 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 176.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.709 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.63 -22.94 58.66 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 122.047 0.927 . . . . 0.0 108.515 178.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.713 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -92.42 -15.18 27.53 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 176.151 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.8 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.2 ttm180 -82.02 -45.53 15.18 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 177.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.709 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 12.4 ptm -51.1 -30.08 15.06 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 122.382 1.087 . . . . 0.0 108.233 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -80.15 45.62 0.75 Allowed 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.729 178.772 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.623 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.09 -162.19 0.78 Allowed 'General case' 0 C--N 1.304 -1.401 0 CA-C-O 122.523 1.154 . . . . 0.0 113.716 -176.609 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.648 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.42 -2.94 8.92 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.609 -179.637 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.548 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.793 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.516 0.674 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.545 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.6 mm100 -126.19 -156.84 0.76 Allowed 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 122.071 0.939 . . . . 0.0 111.538 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.891 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.2 38.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-O 121.777 0.799 . . . . 0.0 110.089 -178.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.489 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.93 -47.6 2.78 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.476 -1.39 . . . . 0.0 107.445 177.23 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.84 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.94 -12.12 8.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.745 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.822 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.16 -99.01 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.36 0.6 . . . . 0.0 112.36 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.796 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.33 -9.71 0.74 Allowed 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.289 -0.882 . . . . 0.0 109.291 179.329 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.652 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.92 -35.31 69.63 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 176.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.702 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.63 -22.67 58.79 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 122.052 0.929 . . . . 0.0 108.543 178.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.713 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -92.85 -15.0 26.98 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 105.692 -1.966 . . . . 0.0 105.692 176.2 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.796 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -82.33 -45.47 14.88 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.702 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 19.1 ptm -51.08 -30.23 15.34 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 122.451 1.12 . . . . 0.0 108.267 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.33 45.98 0.7 Allowed 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.661 178.742 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.649 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -113.15 -165.42 0.99 Allowed 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 122.829 1.299 . . . . 0.0 114.118 -176.365 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.653 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.64 13.29 6.95 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 114.399 -1.273 . . . . 0.0 109.276 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.551 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 13.4 mmmm . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.926 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.4 0.619 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.544 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 24.3 mm100 -130.04 -158.38 0.89 Allowed 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 122.147 0.975 . . . . 0.0 111.512 -177.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.891 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.81 39.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 CA-C-O 121.834 0.825 . . . . 0.0 110.194 -178.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.478 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.14 -47.73 2.75 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.444 -1.41 . . . . 0.0 107.424 177.143 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.84 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.65 -12.43 8.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.71 178.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.824 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.96 -98.96 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.425 0.631 . . . . 0.0 112.294 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.789 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.27 -10.04 0.8 Allowed 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.292 -0.88 . . . . 0.0 109.296 179.411 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.656 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.59 -35.45 70.54 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 176.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.7 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.6 -22.57 58.89 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.083 0.944 . . . . 0.0 108.528 178.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.718 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -92.84 -15.21 26.74 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 176.199 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.789 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -82.01 -45.45 15.3 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 177.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.7 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 27.3 ptm -51.06 -30.27 15.25 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 122.39 1.091 . . . . 0.0 108.203 178.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.47 45.32 0.66 Allowed 'General case' 0 N--CA 1.493 1.7 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.639 178.747 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.633 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.61 -162.43 0.8 Allowed 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 122.645 1.212 . . . . 0.0 113.632 -176.653 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.647 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.19 -0.65 8.83 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.609 -179.594 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.771 -179.503 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.437 0.637 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.547 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 24.3 mm100 -130.23 -159.59 0.97 Allowed 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 122.081 0.943 . . . . 0.0 111.499 -177.84 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.889 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.6 39.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.304 -178.628 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.481 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -116.27 -47.45 2.75 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.474 -1.391 . . . . 0.0 107.489 177.169 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.838 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.85 -12.36 8.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.665 178.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.825 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.1 -98.95 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 121.344 0.592 . . . . 0.0 112.35 -179.671 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.786 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.2 -9.92 0.76 Allowed 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.25 -0.906 . . . . 0.0 109.293 179.328 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.654 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.64 -35.46 70.41 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 176.232 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.7 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.54 -22.65 58.9 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 122.123 0.963 . . . . 0.0 108.557 178.073 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.718 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -92.8 -15.18 26.84 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 176.178 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.786 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -82.03 -45.52 15.19 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 177.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.7 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.8 ptm -50.74 -30.3 13.61 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 122.462 1.125 . . . . 0.0 108.238 178.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -78.86 44.92 0.57 Allowed 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.49 178.593 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.665 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -112.08 -161.52 0.76 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 122.655 1.217 . . . . 0.0 113.66 -176.504 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.646 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.97 -0.01 9.06 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.452 -179.762 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.525 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.664 -179.541 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.413 0.625 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.531 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 26.9 mm100 -132.16 -161.23 1.11 Allowed 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 122.189 0.995 . . . . 0.0 111.812 -177.632 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.892 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.39 39.92 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.271 -178.622 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.479 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.57 -47.88 2.71 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.378 -1.451 . . . . 0.0 107.389 177.195 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.842 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.46 -12.34 8.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.767 178.853 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.824 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.07 -99.12 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.408 0.623 . . . . 0.0 112.365 -179.616 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.786 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.24 -10.29 0.85 Allowed 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.266 -0.896 . . . . 0.0 109.216 179.286 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.647 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.21 -35.52 71.56 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 176.24 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.638 ' HA ' ' HE3' ' A' ' 12' ' ' MET . 2.7 m-80 -74.76 -22.64 58.66 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 122.027 0.918 . . . . 0.0 108.526 178.022 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.709 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.8 ptm180 -92.33 -14.21 29.1 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 175.853 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.786 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.2 ttm180 -84.19 -45.17 13.22 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.841 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.638 ' HE3' ' HA ' ' A' ' 9' ' ' ASN . 12.6 ptp -52.41 -28.71 20.91 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-O 122.291 1.043 . . . . 0.0 108.418 179.224 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.609 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -80.43 44.99 0.73 Allowed 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.598 178.724 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.637 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.33 -161.66 0.76 Allowed 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 122.601 1.191 . . . . 0.0 113.589 -176.661 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.641 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.06 -1.41 8.79 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.611 -179.76 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.783 -179.578 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.447 0.642 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.563 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.1 mm100 -126.51 -153.87 0.59 Allowed 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.962 0.887 . . . . 0.0 111.355 -177.779 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.866 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.6 38.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 CA-C-O 121.733 0.778 . . . . 0.0 110.09 -178.491 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.479 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.8 -47.03 2.81 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.524 -1.36 . . . . 0.0 107.5 177.136 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.84 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.55 -12.56 7.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.669 178.885 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.831 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.73 -99.01 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 121.386 0.612 . . . . 0.0 112.42 -179.695 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.782 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.15 -10.3 0.82 Allowed 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.255 -0.903 . . . . 0.0 109.229 179.327 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.651 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.2 tp60 -71.16 -35.99 71.86 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 105.268 -2.123 . . . . 0.0 105.268 176.275 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.59 ' HA ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -73.82 -25.05 59.9 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.047 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.723 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -89.59 -14.02 35.93 Favored 'General case' 0 C--N 1.288 -2.08 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 175.898 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.782 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.4 ttm180 -84.43 -48.79 9.28 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 177.8 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.749 ' HG3' ' HE3' ' A' ' 13' ' ' LYS . 10.1 ptp -47.05 -33.98 5.37 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 179.208 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.749 ' HE3' ' HG3' ' A' ' 12' ' ' MET 0.267 0.1 OUTLIER -67.1 37.72 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.168 176.303 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.677 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -112.53 -162.58 0.8 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 120.765 -1.209 . . . . 0.0 113.868 -176.207 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.661 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.68 -6.0 8.06 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.949 -179.164 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HD2' ' CZ3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.726 -179.55 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.416 0.627 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.547 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 19.5 mm100 -125.9 -153.32 0.56 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 122.018 0.913 . . . . 0.0 111.306 -177.74 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.89 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.62 38.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 CA-C-O 121.835 0.826 . . . . 0.0 110.145 -178.486 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.481 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.3 -47.47 2.84 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.466 -1.396 . . . . 0.0 107.462 177.249 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.837 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.66 -11.96 7.54 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.611 178.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.827 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.06 -98.98 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.318 0.58 . . . . 0.0 112.473 -179.674 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.8 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -55.95 -10.16 0.73 Allowed 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.353 -0.842 . . . . 0.0 109.337 179.349 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.666 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.5 -35.91 70.92 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 176.274 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.712 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.24 -23.16 59.11 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 122.029 0.919 . . . . 0.0 108.565 178.082 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.711 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -92.22 -15.42 27.55 Favored 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 176.183 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.8 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -81.67 -45.26 16.01 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 177.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.712 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 24.0 ptm -51.38 -30.14 17.95 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 122.466 1.127 . . . . 0.0 108.24 179.051 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -80.11 45.82 0.76 Allowed 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.702 178.775 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.623 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.3 -161.96 0.77 Allowed 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 122.522 1.153 . . . . 0.0 113.751 -176.566 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.648 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.65 -1.72 8.96 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 114.913 -1.039 . . . . 0.0 109.607 -179.708 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.55 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 117.997 -1.002 . . . . 0.0 110.655 -179.642 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.422 0.629 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.553 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 17.5 mm100 -123.79 -151.85 0.49 Allowed 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.865 0.841 . . . . 0.0 111.3 -177.747 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.885 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.97 37.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 CA-C-O 121.78 0.8 . . . . 0.0 110.052 -178.507 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.481 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.39 -47.47 2.83 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.458 -1.401 . . . . 0.0 107.455 177.193 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.841 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.29 -12.42 7.7 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.693 178.873 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.826 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.75 -98.81 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.446 0.641 . . . . 0.0 112.437 -179.667 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.801 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.22 -10.33 0.85 Allowed 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.338 -0.851 . . . . 0.0 109.296 179.406 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.668 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.34 -35.15 71.07 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 176.276 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.655 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 2.8 m-80 -75.23 -22.54 57.81 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.016 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.716 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -92.54 -14.46 28.32 Favored 'General case' 0 C--N 1.287 -2.136 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 175.893 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.801 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.2 ttm180 -83.88 -46.47 12.1 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.868 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.582 ' HE3' ' HA ' ' A' ' 9' ' ' ASN . 11.6 ptp -52.21 -28.58 18.99 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 122.229 1.014 . . . . 0.0 108.544 179.296 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.655 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -81.8 45.53 0.91 Allowed 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.74 178.729 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.609 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -110.73 -161.88 0.77 Allowed 'General case' 0 C--N 1.304 -1.386 0 CA-C-O 122.577 1.18 . . . . 0.0 113.492 -176.653 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.638 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.65 -3.3 8.78 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.674 -179.751 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.549 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.862 -179.545 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.455 0.645 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.54 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 23.7 mm100 -129.56 -159.8 0.99 Allowed 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 122.161 0.981 . . . . 0.0 111.648 -177.679 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.887 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.61 39.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.211 -178.633 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.476 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.09 -47.45 2.77 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.423 -1.423 . . . . 0.0 107.451 177.082 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.836 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.49 -12.12 7.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.687 178.914 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.834 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.8 -99.5 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.416 0.627 . . . . 0.0 112.376 -179.588 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.799 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -55.63 -10.38 0.68 Allowed 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.194 -0.941 . . . . 0.0 109.328 179.289 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.651 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.33 -35.45 71.21 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 105.529 -2.026 . . . . 0.0 105.529 176.337 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.691 ' O ' ' HG2' ' A' ' 12' ' ' MET . 3.0 m-80 -74.68 -22.58 58.8 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.045 0.926 . . . . 0.0 108.546 178.101 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.701 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.7 ptm180 -93.39 -15.36 25.75 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 105.583 -2.006 . . . . 0.0 105.583 176.257 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.799 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.8 ttm180 -81.68 -45.72 15.33 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 177.81 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.691 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.4 ptm -50.25 -30.95 12.84 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 122.495 1.14 . . . . 0.0 108.311 179.013 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -77.22 44.81 0.43 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.619 178.611 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.696 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -115.88 -166.2 1.12 Allowed 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 122.972 1.368 . . . . 0.0 114.353 -176.338 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.675 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -130.06 25.86 5.22 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 113.938 -1.483 . . . . 0.0 108.145 179.498 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.527 ' HG2' ' HB3' ' A' ' 14' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.18 -178.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 121.433 0.635 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.553 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 19.8 mm100 -126.86 -152.6 0.52 Allowed 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.939 0.876 . . . . 0.0 111.111 -177.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.885 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.32 37.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 CA-C-O 121.819 0.819 . . . . 0.0 110.17 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.475 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.18 -48.13 2.83 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.412 -1.43 . . . . 0.0 107.434 177.193 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.838 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.51 -12.28 8.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.724 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.825 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.17 -98.3 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.383 0.611 . . . . 0.0 112.362 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.796 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.86 -9.37 0.79 Allowed 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.274 -0.891 . . . . 0.0 109.37 179.332 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.666 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -72.31 -35.74 68.73 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 176.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.699 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.41 -22.34 59.21 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 122.094 0.949 . . . . 0.0 108.498 178.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.718 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.4 ptm180 -93.13 -15.61 25.83 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 176.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.796 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -81.47 -45.41 16.04 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 177.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.699 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 6.6 ptm -50.74 -30.28 13.56 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 122.413 1.101 . . . . 0.0 108.207 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -78.59 45.39 0.58 Allowed 'General case' 0 N--CA 1.493 1.675 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.563 178.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.667 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -113.4 -165.33 0.99 Allowed 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 122.825 1.298 . . . . 0.0 114.105 -176.338 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.649 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.16 13.44 7.21 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.109 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.543 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 26.2 mmmt . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.839 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.351 0.596 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.541 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 23.5 mm100 -130.0 -156.51 0.76 Allowed 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 122.057 0.932 . . . . 0.0 111.616 -177.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.886 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.56 38.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 CA-C-O 121.897 0.856 . . . . 0.0 110.238 -178.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.476 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.25 -47.43 2.76 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.369 -1.457 . . . . 0.0 107.434 177.134 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.833 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.34 -12.0 7.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.742 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.826 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.01 -99.0 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.34 0.59 . . . . 0.0 112.406 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.801 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.14 -9.87 0.73 Allowed 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.308 -0.87 . . . . 0.0 109.282 179.367 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.661 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.93 -35.46 69.63 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 105.391 -2.078 . . . . 0.0 105.391 176.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.707 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.7 -22.89 58.6 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 122.007 0.908 . . . . 0.0 108.563 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.721 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -92.38 -15.49 27.2 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 176.155 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.801 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -81.68 -45.44 15.74 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.707 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 11.8 ptm -51.59 -29.95 19.3 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 122.455 1.121 . . . . 0.0 108.362 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -78.89 43.55 0.51 Allowed 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.875 178.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.627 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -111.99 -161.51 0.76 Allowed 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 122.533 1.159 . . . . 0.0 113.47 -176.86 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.652 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.69 -10.35 8.32 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.773 -179.488 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.589 ' HD2' ' CZ3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.651 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.699 0.762 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.561 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 11.3 mm100 -114.69 -146.56 0.41 Allowed 'General case' 0 C--N 1.3 -1.579 0 CA-C-O 121.806 0.812 . . . . 0.0 110.926 -178.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.871 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.1 mp 70.06 36.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 CA-C-O 121.839 0.828 . . . . 0.0 109.964 -178.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.478 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -114.74 -47.76 2.88 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.508 -1.37 . . . . 0.0 107.45 177.122 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.844 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.12 -12.01 8.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.593 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.832 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.16 -99.0 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 121.385 0.612 . . . . 0.0 112.287 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.805 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.16 -9.87 0.73 Allowed 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.33 -0.856 . . . . 0.0 109.374 179.411 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.678 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.81 -35.25 69.89 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 176.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.706 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.97 -22.8 58.33 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 122.126 0.965 . . . . 0.0 108.567 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.699 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 2.1 ptm180 -92.6 -15.37 26.97 Favored 'General case' 0 C--N 1.29 -2.012 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 176.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.805 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.8 ttm180 -81.77 -45.89 14.98 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 177.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.706 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 11.6 ptm -50.59 -30.5 13.41 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 122.461 1.124 . . . . 0.0 108.207 179.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.21 45.16 0.62 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.539 178.679 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.661 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -111.68 -161.27 0.75 Allowed 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 122.551 1.167 . . . . 0.0 113.515 -176.601 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.645 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -121.74 -0.81 9.57 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.359 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.525 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.689 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 121.408 0.623 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.527 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 27.7 mm100 -132.87 -162.65 1.26 Allowed 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 122.214 1.007 . . . . 0.0 111.828 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.895 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.06 39.74 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.404 -178.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.477 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.44 -47.88 2.72 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.363 -1.461 . . . . 0.0 107.401 177.124 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.839 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.72 -11.84 8.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.674 178.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.826 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.34 -98.88 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.352 0.596 . . . . 0.0 112.328 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.79 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.47 -9.79 0.79 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.262 -0.899 . . . . 0.0 109.252 179.318 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.651 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.86 -35.29 69.77 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 176.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.701 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.6 m-80 -74.64 -22.52 58.87 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 122.063 0.935 . . . . 0.0 108.543 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.714 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -93.0 -15.21 26.45 Favored 'General case' 0 C--N 1.289 -2.058 0 N-CA-C 105.608 -1.997 . . . . 0.0 105.608 176.247 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.79 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -82.11 -45.38 15.27 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 177.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.701 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 10.3 ptm -51.03 -30.27 14.94 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 122.471 1.129 . . . . 0.0 108.263 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -78.26 44.76 0.51 Allowed 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.632 178.699 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.663 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -113.22 -164.99 0.96 Allowed 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 122.851 1.31 . . . . 0.0 113.977 -176.424 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.654 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.66 11.06 6.69 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 114.398 -1.273 . . . . 0.0 109.303 -179.764 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.549 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 26.6 mmmt . . . . . 0 N--CA 1.497 1.918 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.868 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.479 0.656 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.542 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 22.6 mm100 -127.55 -158.47 0.87 Allowed 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 122.052 0.929 . . . . 0.0 111.472 -177.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.892 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.82 39.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 CA-C-O 121.794 0.806 . . . . 0.0 110.138 -178.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.488 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.88 -47.76 2.78 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.411 -1.431 . . . . 0.0 107.453 177.152 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.835 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.93 -12.35 8.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.738 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.823 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.85 -98.83 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 121.341 0.591 . . . . 0.0 112.419 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.799 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.24 -9.9 0.76 Allowed 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.336 -0.853 . . . . 0.0 109.346 179.33 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.657 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.81 -35.55 69.99 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 176.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.704 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.58 -22.8 58.78 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 178.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.717 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -92.57 -15.4 26.98 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 176.169 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.799 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -81.85 -45.37 15.61 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 177.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.704 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 18.5 ptm -51.31 -30.08 17.06 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 122.437 1.113 . . . . 0.0 108.266 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.69 45.16 0.67 Allowed 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.726 178.758 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.63 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.4 -162.38 0.79 Allowed 'General case' 0 C--N 1.305 -1.352 0 CA-C-O 122.572 1.177 . . . . 0.0 113.57 -176.67 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.647 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.01 -2.7 8.65 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.687 -179.553 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.751 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.44 0.638 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.548 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.7 mm100 -127.18 -157.08 0.79 Allowed 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 122.054 0.93 . . . . 0.0 111.595 -177.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.883 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.36 39.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 CA-C-O 121.841 0.829 . . . . 0.0 110.209 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.49 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.99 -47.85 2.76 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.465 -1.397 . . . . 0.0 107.379 177.247 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.835 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.36 -12.14 7.75 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.683 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.827 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.79 -99.08 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 121.343 0.592 . . . . 0.0 112.451 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.806 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.08 -9.98 0.73 Allowed 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.365 -0.834 . . . . 0.0 109.327 179.36 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.658 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.66 -35.6 70.4 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 105.423 -2.066 . . . . 0.0 105.423 176.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.737 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.75 -24.57 58.73 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.697 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -90.14 -15.05 32.36 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 176.016 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.806 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.1 ttm180 -82.66 -46.65 12.98 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.737 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 25.5 ptm -50.97 -33.66 25.62 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 107.786 -1.191 . . . . 0.0 107.786 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.65 ' HE3' ' CG ' ' A' ' 12' ' ' MET . 2.2 mmtp -68.75 39.36 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.917 177.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.695 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -111.58 -162.9 0.82 Allowed 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.714 -1.241 . . . . 0.0 113.776 -176.302 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.657 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.48 -2.77 8.42 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.807 -179.345 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.535 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 117.932 -1.033 . . . . 0.0 110.712 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.339 0.59 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.532 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 23.1 mm100 -127.09 -160.26 0.99 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 122.135 0.969 . . . . 0.0 111.787 -177.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.896 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.37 39.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.185 -178.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.498 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -116.11 -47.86 2.75 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.442 -1.411 . . . . 0.0 107.366 177.226 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.832 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.74 -11.69 7.57 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.593 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.827 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.82 -99.18 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.304 0.573 . . . . 0.0 112.415 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.806 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -55.82 -10.62 0.78 Allowed 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.32 -0.863 . . . . 0.0 109.374 179.371 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.656 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -70.86 -35.72 72.51 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 176.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.756 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.38 -24.36 59.13 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 177.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.697 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -91.0 -13.72 32.79 Favored 'General case' 0 C--N 1.289 -2.063 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 176.197 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.806 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.1 ttm180 -83.75 -44.88 13.96 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.756 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 25.2 ptt? -52.5 -28.77 21.83 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 122.389 1.09 . . . . 0.0 108.357 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -80.61 45.36 0.78 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.793 178.548 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.613 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -111.87 -162.26 0.79 Allowed 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 122.566 1.174 . . . . 0.0 113.403 -176.851 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.646 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.74 -5.96 8.58 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.787 -179.408 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.545 ' HD2' ' CZ3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.674 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.349 0.595 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.548 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 21.0 mm100 -125.57 -156.43 0.73 Allowed 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 122.045 0.926 . . . . 0.0 111.484 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.886 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.54 38.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 CA-C-O 121.81 0.814 . . . . 0.0 110.202 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.49 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.84 -47.29 2.8 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.466 -1.396 . . . . 0.0 107.396 177.201 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.833 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.37 -12.37 7.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.643 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.826 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.66 -98.72 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.392 0 CA-C-O 121.364 0.602 . . . . 0.0 112.471 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.795 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.32 -9.76 0.75 Allowed 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.322 -0.861 . . . . 0.0 109.383 179.437 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.654 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.8 -35.58 70.02 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 176.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.751 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.51 -23.54 58.85 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 122.056 0.931 . . . . 0.0 108.5 177.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.732 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.4 ptm180 -91.25 -15.17 29.62 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 176.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.795 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 4.7 ttm180 -82.27 -44.74 15.9 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 114.696 -1.138 . . . . 0.0 107.977 177.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.751 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 20.6 ptt? -52.18 -28.46 18.29 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 122.357 1.075 . . . . 0.0 108.226 179.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -80.28 45.06 0.72 Allowed 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.63 178.394 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.639 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.79 -161.92 0.77 Allowed 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.504 1.145 . . . . 0.0 113.623 -176.643 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.65 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.16 -2.29 8.63 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.625 -179.505 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.555 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.772 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.512 0.672 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.55 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 19.7 mm100 -124.68 -156.16 0.71 Allowed 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 122.037 0.922 . . . . 0.0 111.405 -177.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.888 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.97 38.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 CA-C-O 121.816 0.817 . . . . 0.0 110.117 -178.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.486 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.81 -47.36 2.8 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.402 -1.436 . . . . 0.0 107.437 177.184 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.838 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.9 -12.65 7.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.768 178.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.827 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.74 -99.15 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 121.382 0.611 . . . . 0.0 112.381 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.788 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.04 -10.43 0.81 Allowed 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.322 -0.861 . . . . 0.0 109.314 179.33 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.652 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.14 -35.29 71.65 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 105.513 -2.032 . . . . 0.0 105.513 176.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.652 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 2.8 m-80 -75.03 -22.34 58.5 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.712 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -92.7 -14.74 27.6 Favored 'General case' 0 C--N 1.286 -2.156 0 N-CA-C 105.506 -2.035 . . . . 0.0 105.506 175.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.788 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.3 ttm180 -83.61 -46.67 12.1 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 177.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.552 ' HG2' ' C ' ' A' ' 9' ' ' ASN . 8.7 ptp -51.51 -28.91 14.9 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 122.31 1.052 . . . . 0.0 108.523 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.652 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -80.98 45.1 0.8 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.672 178.685 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.629 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -110.97 -161.95 0.77 Allowed 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 122.604 1.193 . . . . 0.0 113.513 -176.663 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.641 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.01 -1.4 8.82 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.549 -179.665 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.543 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.715 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.385 0.612 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.55 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 21.8 mm100 -127.97 -156.42 0.75 Allowed 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.026 0.917 . . . . 0.0 111.449 -177.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.88 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.8 38.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 CA-C-O 121.725 0.774 . . . . 0.0 110.189 -178.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.472 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -115.73 -48.0 2.78 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.411 -1.431 . . . . 0.0 107.518 177.166 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.846 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.3 pp -121.12 -12.46 8.72 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.721 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.823 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.28 -98.57 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.392 0.615 . . . . 0.0 112.347 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.786 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.97 -9.28 0.79 Allowed 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.246 -0.908 . . . . 0.0 109.265 179.413 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.661 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -72.19 -35.43 68.96 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 176.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.707 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.63 -22.63 58.82 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 122.047 0.927 . . . . 0.0 108.573 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.743 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -92.26 -15.74 27.06 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 176.205 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.786 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.4 ttm180 -81.42 -46.26 14.86 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 177.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.707 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.6 ptm -50.58 -30.04 12.26 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-O 122.447 1.117 . . . . 0.0 108.317 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.38 44.11 0.58 Allowed 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.747 178.824 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.626 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -111.27 -162.03 0.78 Allowed 'General case' 0 C--N 1.304 -1.386 0 CA-C-O 122.535 1.159 . . . . 0.0 113.418 -176.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.646 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.32 -9.85 8.05 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.901 -179.263 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HD2' ' CZ3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.719 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.32 0.581 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.558 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 7.0 mm100 -116.16 -138.25 0.37 Allowed 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.591 0.71 . . . . 0.0 110.968 -177.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.845 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.1 mp 70.45 34.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 CA-C-O 121.759 0.79 . . . . 0.0 109.936 -178.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.465 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -112.83 -46.72 3.1 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.445 -1.409 . . . . 0.0 107.56 177.177 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.838 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.76 -12.64 7.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.714 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.834 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.76 -98.49 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.408 0.623 . . . . 0.0 112.439 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.812 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.32 -9.71 0.74 Allowed 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.336 -0.852 . . . . 0.0 109.467 179.439 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.681 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.98 -35.81 69.61 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 105.29 -2.115 . . . . 0.0 105.29 176.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.76 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.58 -24.36 58.9 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.721 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -90.31 -14.51 33.02 Favored 'General case' 0 C--N 1.288 -2.078 0 N-CA-C 105.578 -2.008 . . . . 0.0 105.578 176.078 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.812 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.7 ttm180 -82.85 -45.25 14.49 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.055 178.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.76 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 24.9 ptt? -52.53 -28.46 20.74 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 122.376 1.084 . . . . 0.0 108.355 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -82.61 46.59 1.08 Allowed 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.834 178.601 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.592 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -110.89 -162.78 0.81 Allowed 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 122.67 1.224 . . . . 0.0 113.62 -176.625 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.659 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.58 -1.61 9.01 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.512 -179.583 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.767 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.718 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.446 0.641 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.556 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.3 mm100 -126.65 -154.99 0.66 Allowed 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 121.991 0.9 . . . . 0.0 111.28 -177.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.877 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.18 38.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 CA-C-O 121.76 0.791 . . . . 0.0 110.088 -178.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.471 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.79 -47.47 2.8 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.459 -1.4 . . . . 0.0 107.498 177.252 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.844 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.44 -12.41 8.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.868 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.824 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.23 -98.78 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.341 0.591 . . . . 0.0 112.382 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.78 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.62 -9.58 0.78 Allowed 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.262 -0.899 . . . . 0.0 109.265 179.304 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.651 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -72.03 -35.15 69.3 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 176.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.695 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.6 m-80 -74.42 -22.59 59.07 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 122.116 0.96 . . . . 0.0 108.615 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.714 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -93.05 -15.0 26.63 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 176.144 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.78 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -82.5 -45.24 14.95 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 177.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.695 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 14.6 ptm -50.66 -30.63 14.07 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 122.438 1.113 . . . . 0.0 108.178 178.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -77.54 45.13 0.47 Allowed 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.455 178.441 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.69 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -113.6 -164.28 0.91 Allowed 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 122.817 1.294 . . . . 0.0 114.028 -176.277 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.654 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.39 11.54 6.89 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 114.415 -1.266 . . . . 0.0 109.246 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.545 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 12.8 mmmt . . . . . 0 N--CA 1.496 1.862 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.948 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.478 0.656 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.541 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 22.0 mm100 -126.65 -158.1 0.84 Allowed 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 122.06 0.933 . . . . 0.0 111.575 -177.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.891 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.83 39.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 CA-C-O 121.791 0.805 . . . . 0.0 110.157 -178.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.49 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.96 -47.69 2.77 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.374 -1.454 . . . . 0.0 107.423 177.193 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.835 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.12 -12.17 7.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.687 178.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.826 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.88 -98.66 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.312 0.577 . . . . 0.0 112.42 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.798 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.6 -9.43 0.74 Allowed 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.36 -0.837 . . . . 0.0 109.352 179.38 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.653 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -72.21 -35.43 68.89 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 176.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.717 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.66 -22.8 58.69 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.024 0.916 . . . . 0.0 108.547 178.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.74 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 2.1 ptm180 -92.23 -15.67 27.2 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 176.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.798 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.8 ttm180 -81.47 -45.59 15.78 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 177.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.717 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 10.7 ptm -51.39 -30.02 17.66 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 122.425 1.107 . . . . 0.0 108.293 179.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.52 45.7 0.69 Allowed 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.785 178.841 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.631 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -112.84 -165.48 1.0 Allowed 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 122.758 1.266 . . . . 0.0 114.096 -176.454 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.662 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.76 12.03 6.76 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.257 -179.658 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.541 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 26.7 mmmt . . . . . 0 N--CA 1.496 1.83 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.921 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.366 0.603 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.53 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 26.2 mm100 -131.33 -159.99 1.01 Allowed 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 122.111 0.958 . . . . 0.0 111.789 -177.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.899 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.84 39.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.304 -178.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.48 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -116.08 -48.1 2.74 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.382 -1.449 . . . . 0.0 107.366 177.218 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.836 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.05 -11.83 8.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.741 178.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.822 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.96 -98.94 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.418 0.627 . . . . 0.0 112.352 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.791 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.18 -10.22 0.81 Allowed 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.247 -0.908 . . . . 0.0 109.253 179.379 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.66 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.51 -35.38 70.72 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 176.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.706 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.47 -22.82 58.91 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 122.058 0.932 . . . . 0.0 108.539 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.715 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -92.7 -15.08 27.14 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 176.169 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.791 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.6 ttm180 -82.29 -45.15 15.34 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 177.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.706 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.1 ptm -51.16 -30.34 16.47 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-O 122.497 1.141 . . . . 0.0 108.205 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -78.51 45.37 0.57 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.539 178.669 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.675 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -113.7 -164.91 0.96 Allowed 'General case' 0 C--N 1.305 -1.331 0 CA-C-O 122.822 1.296 . . . . 0.0 114.094 -176.396 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.66 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -128.18 13.31 6.67 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 114.376 -1.284 . . . . 0.0 109.213 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.545 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 12.6 mmmt . . . . . 0 N--CA 1.497 1.875 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.907 -179.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.358 0.599 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.532 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 25.2 mm100 -130.58 -159.56 0.97 Allowed 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 122.102 0.953 . . . . 0.0 111.708 -177.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.897 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.76 39.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.269 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.483 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -116.2 -47.96 2.74 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.453 -1.404 . . . . 0.0 107.47 177.141 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.838 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.98 -12.17 8.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.676 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.822 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.82 -98.89 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.406 0.622 . . . . 0.0 112.375 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.792 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.29 -10.15 0.83 Allowed 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.226 -0.921 . . . . 0.0 109.332 179.318 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.65 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.51 -35.4 70.74 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 176.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.709 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.55 -22.84 58.8 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.027 0.917 . . . . 0.0 108.538 178.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.714 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.8 ptm180 -92.65 -15.2 27.08 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 176.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.792 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -81.96 -45.44 15.38 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.709 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 27.6 ptm -51.01 -30.47 15.36 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 122.518 1.152 . . . . 0.0 108.277 178.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -78.68 45.54 0.6 Allowed 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.561 178.682 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.663 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -113.34 -165.05 0.96 Allowed 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 122.838 1.304 . . . . 0.0 114.162 -176.402 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.661 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -128.16 12.64 6.62 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.386 -1.279 . . . . 0.0 109.162 -179.786 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.547 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 13.5 mmmm . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 118.089 -0.958 . . . . 0.0 110.946 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.4 0.619 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.556 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.2 mm100 -127.33 -155.15 0.68 Allowed 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 121.995 0.902 . . . . 0.0 111.315 -177.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.878 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.81 38.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 CA-C-O 121.817 0.818 . . . . 0.0 110.126 -178.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.475 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.68 -47.17 2.82 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.299 -1.501 . . . . 0.0 107.595 177.068 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.845 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.53 -13.04 8.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.818 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.826 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.83 -98.66 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.291 0.567 . . . . 0.0 112.338 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.782 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.62 -10.15 0.92 Allowed 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.372 -0.83 . . . . 0.0 109.344 179.315 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.643 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.32 -35.26 71.16 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 176.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.699 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.63 -22.63 58.82 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 122.048 0.927 . . . . 0.0 108.57 178.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.715 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.7 ptm180 -92.97 -15.08 26.65 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 105.699 -1.963 . . . . 0.0 105.699 176.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.782 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -82.22 -45.1 15.51 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.699 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 27.4 ptm -51.47 -30.11 18.7 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 122.535 1.159 . . . . 0.0 108.273 179.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -78.4 43.95 0.49 Allowed 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.765 178.749 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.64 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -111.91 -162.04 0.78 Allowed 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.549 1.166 . . . . 0.0 113.416 -176.774 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.648 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.17 -7.75 8.25 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.841 -179.399 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.546 ' HD2' ' CZ3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.836 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 . . . . . 0 N--CA 1.494 1.763 0 CA-C-O 121.369 0.604 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.532 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 26.3 mm100 -132.09 -160.33 1.04 Allowed 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 122.175 0.988 . . . . 0.0 111.815 -177.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.89 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.83 39.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.205 -178.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.481 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.46 -47.94 2.72 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.466 -1.397 . . . . 0.0 107.4 177.176 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.842 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.23 -12.39 8.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.747 178.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.821 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.04 -98.96 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 121.43 0.633 . . . . 0.0 112.349 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.795 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.35 -9.82 0.77 Allowed 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.161 -0.962 . . . . 0.0 109.328 179.303 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.65 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.72 -35.59 70.23 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 176.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.751 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.38 -23.88 59.06 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.733 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.3 ptm180 -91.1 -14.32 31.44 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 176.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.795 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.6 ttm180 -83.29 -45.22 14.06 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 114.755 -1.111 . . . . 0.0 108.017 178.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.751 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 23.6 ptt? -51.89 -28.69 17.01 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-O 122.335 1.064 . . . . 0.0 108.303 179.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -80.9 45.63 0.83 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.719 178.435 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.633 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -112.09 -162.3 0.79 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 122.575 1.179 . . . . 0.0 113.581 -176.674 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.644 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.06 -1.52 8.77 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.635 -179.579 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.538 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.739 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.515 0.674 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.542 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.4 mm100 -125.37 -156.94 0.76 Allowed 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.999 0.904 . . . . 0.0 111.581 -177.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.893 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.17 38.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 CA-C-O 121.862 0.839 . . . . 0.0 110.181 -178.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.485 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.78 -48.07 2.77 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.393 -1.442 . . . . 0.0 107.445 177.237 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.838 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.98 -12.01 8.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.652 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.823 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.99 -98.98 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.387 0.613 . . . . 0.0 112.337 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.8 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.25 -9.87 0.76 Allowed 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.362 -0.836 . . . . 0.0 109.345 179.359 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.663 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.77 -35.47 70.07 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 176.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.709 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.63 -22.94 58.66 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 122.047 0.927 . . . . 0.0 108.515 178.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.713 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -92.42 -15.18 27.53 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 176.151 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.8 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.2 ttm180 -82.02 -45.53 15.18 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 177.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.709 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 12.4 ptm -51.1 -30.08 15.06 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 122.382 1.087 . . . . 0.0 108.233 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -80.15 45.62 0.75 Allowed 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.729 178.772 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.623 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.09 -162.19 0.78 Allowed 'General case' 0 C--N 1.304 -1.401 0 CA-C-O 122.523 1.154 . . . . 0.0 113.716 -176.609 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.648 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.42 -2.94 8.92 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.609 -179.637 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.548 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.793 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.516 0.674 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.545 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.6 mm100 -126.19 -156.84 0.76 Allowed 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 122.071 0.939 . . . . 0.0 111.538 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.891 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.2 38.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-O 121.777 0.799 . . . . 0.0 110.089 -178.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.489 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.93 -47.6 2.78 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.476 -1.39 . . . . 0.0 107.445 177.23 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.84 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.94 -12.12 8.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.745 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.822 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.16 -99.01 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.36 0.6 . . . . 0.0 112.36 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.796 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.33 -9.71 0.74 Allowed 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.289 -0.882 . . . . 0.0 109.291 179.329 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.652 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.92 -35.31 69.63 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 176.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.702 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.63 -22.67 58.79 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 122.052 0.929 . . . . 0.0 108.543 178.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.713 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -92.85 -15.0 26.98 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 105.692 -1.966 . . . . 0.0 105.692 176.2 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.796 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -82.33 -45.47 14.88 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.702 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 19.1 ptm -51.08 -30.23 15.34 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 122.451 1.12 . . . . 0.0 108.267 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.33 45.98 0.7 Allowed 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.661 178.742 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.649 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -113.15 -165.42 0.99 Allowed 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 122.829 1.299 . . . . 0.0 114.118 -176.365 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.653 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -127.64 13.29 6.95 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 114.399 -1.273 . . . . 0.0 109.276 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.551 ' CD ' ' CE3' ' A' ' 14' ' ' TRP . 13.4 mmmm . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.926 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.4 0.619 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.544 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 24.3 mm100 -130.04 -158.38 0.89 Allowed 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 122.147 0.975 . . . . 0.0 111.512 -177.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.891 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.81 39.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 CA-C-O 121.834 0.825 . . . . 0.0 110.194 -178.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.478 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.14 -47.73 2.75 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.444 -1.41 . . . . 0.0 107.424 177.143 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.84 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.65 -12.43 8.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.71 178.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.824 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.96 -98.96 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.425 0.631 . . . . 0.0 112.294 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.789 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.27 -10.04 0.8 Allowed 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.292 -0.88 . . . . 0.0 109.296 179.411 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.656 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.59 -35.45 70.54 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 176.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.7 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.6 -22.57 58.89 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.083 0.944 . . . . 0.0 108.528 178.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.718 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -92.84 -15.21 26.74 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 176.199 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.789 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -82.01 -45.45 15.3 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 177.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.7 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 27.3 ptm -51.06 -30.27 15.25 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 122.39 1.091 . . . . 0.0 108.203 178.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -79.47 45.32 0.66 Allowed 'General case' 0 N--CA 1.493 1.7 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.639 178.747 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.633 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.61 -162.43 0.8 Allowed 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 122.645 1.212 . . . . 0.0 113.632 -176.653 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.647 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.19 -0.65 8.83 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.609 -179.594 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.771 -179.503 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.437 0.637 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.547 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 24.3 mm100 -130.23 -159.59 0.97 Allowed 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 122.081 0.943 . . . . 0.0 111.499 -177.84 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.889 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.6 39.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.304 -178.628 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.481 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -116.27 -47.45 2.75 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.474 -1.391 . . . . 0.0 107.489 177.169 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.838 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.85 -12.36 8.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.665 178.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.825 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.1 -98.95 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 121.344 0.592 . . . . 0.0 112.35 -179.671 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.786 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.2 -9.92 0.76 Allowed 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.25 -0.906 . . . . 0.0 109.293 179.328 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.654 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.64 -35.46 70.41 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 176.232 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.7 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -74.54 -22.65 58.9 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 122.123 0.963 . . . . 0.0 108.557 178.073 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.718 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -92.8 -15.18 26.84 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 176.178 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.786 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.5 ttm180 -82.03 -45.52 15.19 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 177.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.7 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.8 ptm -50.74 -30.3 13.61 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 122.462 1.125 . . . . 0.0 108.238 178.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -78.86 44.92 0.57 Allowed 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.49 178.593 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.665 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -112.08 -161.52 0.76 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 122.655 1.217 . . . . 0.0 113.66 -176.504 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.646 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.97 -0.01 9.06 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.452 -179.762 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.525 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.664 -179.541 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.413 0.625 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.531 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 26.9 mm100 -132.16 -161.23 1.11 Allowed 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 122.189 0.995 . . . . 0.0 111.812 -177.632 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.892 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.39 39.92 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.271 -178.622 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.479 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.57 -47.88 2.71 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.378 -1.451 . . . . 0.0 107.389 177.195 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.842 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -121.46 -12.34 8.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.767 178.853 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.824 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.07 -99.12 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.408 0.623 . . . . 0.0 112.365 -179.616 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.786 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.24 -10.29 0.85 Allowed 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.266 -0.896 . . . . 0.0 109.216 179.286 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.647 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.21 -35.52 71.56 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 176.24 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.638 ' HA ' ' HE3' ' A' ' 12' ' ' MET . 2.7 m-80 -74.76 -22.64 58.66 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 122.027 0.918 . . . . 0.0 108.526 178.022 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.709 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.8 ptm180 -92.33 -14.21 29.1 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 175.853 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.786 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.2 ttm180 -84.19 -45.17 13.22 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.841 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.638 ' HE3' ' HA ' ' A' ' 9' ' ' ASN . 12.6 ptp -52.41 -28.71 20.91 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-O 122.291 1.043 . . . . 0.0 108.418 179.224 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.609 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -80.43 44.99 0.73 Allowed 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.598 178.724 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.637 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.33 -161.66 0.76 Allowed 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 122.601 1.191 . . . . 0.0 113.589 -176.661 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.641 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.06 -1.41 8.79 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.611 -179.76 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.783 -179.578 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.447 0.642 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.563 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 20.1 mm100 -126.51 -153.87 0.59 Allowed 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.962 0.887 . . . . 0.0 111.355 -177.779 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.866 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.6 38.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 CA-C-O 121.733 0.778 . . . . 0.0 110.09 -178.491 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.479 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.8 -47.03 2.81 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.524 -1.36 . . . . 0.0 107.5 177.136 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.84 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.55 -12.56 7.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.669 178.885 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.831 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.73 -99.01 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 121.386 0.612 . . . . 0.0 112.42 -179.695 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.782 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.15 -10.3 0.82 Allowed 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.255 -0.903 . . . . 0.0 109.229 179.327 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.651 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.2 tp60 -71.16 -35.99 71.86 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 105.268 -2.123 . . . . 0.0 105.268 176.275 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.59 ' HA ' ' HG2' ' A' ' 12' ' ' MET . 2.7 m-80 -73.82 -25.05 59.9 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.047 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.723 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -89.59 -14.02 35.93 Favored 'General case' 0 C--N 1.288 -2.08 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 175.898 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.782 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 5.4 ttm180 -84.43 -48.79 9.28 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 177.8 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.749 ' HG3' ' HE3' ' A' ' 13' ' ' LYS . 10.1 ptp -47.05 -33.98 5.37 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 179.208 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.749 ' HE3' ' HG3' ' A' ' 12' ' ' MET 0.267 0.1 OUTLIER -67.1 37.72 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.168 176.303 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.677 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -112.53 -162.58 0.8 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 120.765 -1.209 . . . . 0.0 113.868 -176.207 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.661 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.68 -6.0 8.06 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.949 -179.164 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HD2' ' CZ3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.726 -179.55 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.416 0.627 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.547 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 19.5 mm100 -125.9 -153.32 0.56 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 122.018 0.913 . . . . 0.0 111.306 -177.74 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.89 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.62 38.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 CA-C-O 121.835 0.826 . . . . 0.0 110.145 -178.486 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.481 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.3 -47.47 2.84 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.466 -1.396 . . . . 0.0 107.462 177.249 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.837 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.66 -11.96 7.54 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.611 178.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.827 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -41.06 -98.98 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.318 0.58 . . . . 0.0 112.473 -179.674 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.8 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -55.95 -10.16 0.73 Allowed 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.353 -0.842 . . . . 0.0 109.337 179.349 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.666 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.4 tp60 -71.5 -35.91 70.92 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 176.274 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.712 ' O ' ' HG2' ' A' ' 12' ' ' MET . 2.8 m-80 -74.24 -23.16 59.11 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 122.029 0.919 . . . . 0.0 108.565 178.082 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.711 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -92.22 -15.42 27.55 Favored 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 176.183 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.8 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.4 ttm180 -81.67 -45.26 16.01 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 177.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.712 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 24.0 ptm -51.38 -30.14 17.95 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 122.466 1.127 . . . . 0.0 108.24 179.051 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -80.11 45.82 0.76 Allowed 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.702 178.775 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.623 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -111.3 -161.96 0.77 Allowed 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 122.522 1.153 . . . . 0.0 113.751 -176.566 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.648 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.65 -1.72 8.96 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 114.913 -1.039 . . . . 0.0 109.607 -179.708 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.55 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 117.997 -1.002 . . . . 0.0 110.655 -179.642 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.422 0.629 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.553 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 17.5 mm100 -123.79 -151.85 0.49 Allowed 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.865 0.841 . . . . 0.0 111.3 -177.747 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.885 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 69.97 37.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 CA-C-O 121.78 0.8 . . . . 0.0 110.052 -178.507 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.481 ' HD3' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -115.39 -47.47 2.83 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.458 -1.401 . . . . 0.0 107.455 177.193 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.841 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.29 -12.42 7.7 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.693 178.873 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.826 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.75 -98.81 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.446 0.641 . . . . 0.0 112.437 -179.667 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.801 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -56.22 -10.33 0.85 Allowed 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.338 -0.851 . . . . 0.0 109.296 179.406 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.668 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.34 -35.15 71.07 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 176.276 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.655 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 2.8 m-80 -75.23 -22.54 57.81 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.016 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.716 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -92.54 -14.46 28.32 Favored 'General case' 0 C--N 1.287 -2.136 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 175.893 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.801 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.2 ttm180 -83.88 -46.47 12.1 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.868 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.582 ' HE3' ' HA ' ' A' ' 9' ' ' ASN . 11.6 ptp -52.21 -28.58 18.99 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 122.229 1.014 . . . . 0.0 108.544 179.296 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.655 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -81.8 45.53 0.91 Allowed 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.74 178.729 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.609 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -110.73 -161.88 0.77 Allowed 'General case' 0 C--N 1.304 -1.386 0 CA-C-O 122.577 1.18 . . . . 0.0 113.492 -176.653 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.638 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -122.65 -3.3 8.78 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.674 -179.751 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.549 ' HD3' ' CE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.862 -179.545 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.455 0.645 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.54 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 23.7 mm100 -129.56 -159.8 0.99 Allowed 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 122.161 0.981 . . . . 0.0 111.648 -177.679 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.887 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.2 mp 68.61 39.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.211 -178.633 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.476 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -116.09 -47.45 2.77 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.423 -1.423 . . . . 0.0 107.451 177.082 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.836 ' C ' HD12 ' A' ' 5' ' ' ILE . 2.4 pp -122.49 -12.12 7.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.687 178.914 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.834 ' CD1' ' HA ' ' A' ' 3' ' ' ILE . 1.5 p-90 -40.8 -99.5 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.416 0.627 . . . . 0.0 112.376 -179.588 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.799 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -55.63 -10.38 0.68 Allowed 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.194 -0.941 . . . . 0.0 109.328 179.289 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.651 ' N ' ' HD1' ' A' ' 7' ' ' PHE . 1.5 tp60 -71.33 -35.45 71.21 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 105.529 -2.026 . . . . 0.0 105.529 176.337 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.691 ' O ' ' HG2' ' A' ' 12' ' ' MET . 3.0 m-80 -74.68 -22.58 58.8 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.045 0.926 . . . . 0.0 108.546 178.101 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.701 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 1.7 ptm180 -93.39 -15.36 25.75 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 105.583 -2.006 . . . . 0.0 105.583 176.257 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.799 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 3.8 ttm180 -81.68 -45.72 15.33 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 177.81 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.691 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.4 ptm -50.25 -30.95 12.84 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 122.495 1.14 . . . . 0.0 108.311 179.013 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -77.22 44.81 0.43 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.619 178.611 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.696 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -115.88 -166.2 1.12 Allowed 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 122.972 1.368 . . . . 0.0 114.353 -176.338 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.675 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -130.06 25.86 5.22 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 113.938 -1.483 . . . . 0.0 108.145 179.498 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.527 ' HG2' ' HB3' ' A' ' 14' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.18 -178.405 . . . . . . . . 2 2 . 1 stop_ save_