data_1ont_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 1ont _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' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.481 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 N--CA 1.497 1.916 0 O-C-N 124.652 0.854 . . . . 0.0 109.84 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.5 t80 . . . . . 0 N--CA 1.494 1.743 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -69.59 -53.97 16.29 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 124.685 1.24 . . . . 0.0 111.268 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -61.41 -24.93 66.86 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 124.252 0.97 . . . . 0.0 110.768 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.3 ttp -83.65 -35.33 24.65 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 N--CA 1.493 1.719 0 O-C-N 124.051 0.844 . . . . 0.0 111.379 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mt -70.65 -54.36 12.24 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 124.042 0.839 . . . . 0.0 110.495 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.886 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.118 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.964 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -74.91 -36.78 62.18 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.631 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.491 1.584 0 CA-C-N 114.71 -1.132 . . . . 0.0 112.409 -179.861 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.834 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 . . . . . 0 N--CA 1.502 2.151 0 CA-C-O 121.59 0.71 . . . . 0.0 111.218 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.4 t80 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -32.17 67.52 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -68.33 -57.77 5.41 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.456 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.2 ptm -72.62 -5.96 40.89 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 114.55 -1.205 . . . . 0.0 112.523 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.495 1.819 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.61 -49.99 75.33 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 123.814 0.696 . . . . 0.0 112.635 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.9 mmt-85 . . . . . 0 N--CA 1.5 2.053 0 O-C-N 123.609 0.568 . . . . 0.0 109.658 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.23 4.77 53.19 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 114.766 -1.107 . . . . 0.0 110.773 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.492 1.667 0 O-C-N 124.247 0.967 . . . . 0.0 111.297 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.5 2.046 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 33.4 t80 . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.78 -40.55 80.07 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 124.773 1.296 . . . . 0.0 109.504 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -66.41 -48.43 70.08 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 114.626 -1.17 . . . . 0.0 108.797 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.3 tmm? -71.92 -12.64 61.35 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 114.128 -1.396 . . . . 0.0 112.48 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mt -64.21 -64.78 0.8 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 . . . . . 0 N--CA 1.491 1.608 0 CA-C-N 114.325 -1.307 . . . . 0.0 112.467 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 120.693 0.282 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -35.21 79.37 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.041 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.3 t . . . . . 0 N--CA 1.49 1.558 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.094 179.807 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 108.28 -1.928 . . . . 0.0 108.28 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.499 1.996 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 68.3 t80 . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -61.67 -40.98 96.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 124.608 1.193 . . . . 0.0 109.333 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -58.33 -32.66 68.71 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 123.731 0.644 . . . . 0.0 110.349 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.3 ttp -84.31 -26.39 28.55 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 124.062 0.851 . . . . 0.0 110.254 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 O-C-N 124.061 0.851 . . . . 0.0 108.972 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.846 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mt -64.22 -52.29 59.53 Favored 'General case' 0 N--CA 1.499 1.999 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.591 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.83 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.994 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -87.78 -53.95 4.5 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 114.449 -1.25 . . . . 0.0 109.716 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.6 t . . . . . 0 N--CA 1.494 1.728 0 O-C-N 124.489 1.118 . . . . 0.0 112.082 -179.827 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 N--CA 1.496 1.873 0 O-C-N 124.281 0.636 . . . . 0.0 111.074 -179.848 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 59.1 t80 . . . . . 0 N--CA 1.495 1.805 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -1.52 23.84 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 123.827 0.704 . . . . 0.0 112.585 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -95.6 -39.24 10.02 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.43 -11.54 51.59 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 113.62 -1.627 . . . . 0.0 111.935 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 122.909 1.337 . . . . 0.0 110.653 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mt -91.8 -48.37 6.84 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.855 0 CA-C-N 113.719 -1.582 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.61 -19.54 62.83 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 114.401 -1.272 . . . . 0.0 112.358 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.3 t . . . . . 0 N--CA 1.498 1.942 0 O-C-N 124.029 0.831 . . . . 0.0 110.726 -179.943 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 108.656 -1.777 . . . . 0.0 108.656 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.68 0 O-C-N 124.882 0.989 . . . . 0.0 111.924 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 14.5 t80 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -61.48 -39.61 91.54 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.36 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 ptpp? -63.23 -41.7 99.13 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 124.189 0.931 . . . . 0.0 111.555 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.2 ptm -86.39 -9.6 56.0 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 124.082 0.864 . . . . 0.0 112.646 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.9 t30 . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 111.3 0.111 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -50.81 72.49 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 123.609 0.568 . . . . 0.0 109.666 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 . . . . . 0 N--CA 1.492 1.646 0 O-C-N 124.083 0.865 . . . . 0.0 108.908 179.909 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 120.694 0.283 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -94.38 -18.59 21.42 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 124.398 1.062 . . . . 0.0 112.05 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 68.9 t . . . . . 0 N--CA 1.491 1.594 0 O-C-N 123.339 0.4 . . . . 0.0 111.771 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.46 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 . . . . . 0 N--CA 1.499 2.01 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -179.882 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.5 t80 . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -71.78 -28.17 63.44 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 114.363 -1.29 . . . . 0.0 109.615 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -61.94 -52.38 64.28 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 123.991 0.807 . . . . 0.0 109.523 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -69.91 -19.02 63.42 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 114.918 -1.037 . . . . 0.0 112.378 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t30 . . . . . 0 N--CA 1.498 1.933 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mt -65.43 -55.44 17.99 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 124.465 1.103 . . . . 0.0 110.211 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.5 mmt-85 . . . . . 0 N--CA 1.495 1.785 0 CA-C-N 114.594 -1.185 . . . . 0.0 108.903 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.003 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.06 -51.94 27.88 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-N 114.716 -1.129 . . . . 0.0 108.589 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.8 t . . . . . 0 N--CA 1.489 1.501 0 CA-C-N 114.206 -1.361 . . . . 0.0 112.344 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.767 0 N-CA-C 111.723 -0.551 . . . . 0.0 111.723 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 . . . . . 0 N--CA 1.502 2.13 0 O-C-N 124.495 0.762 . . . . 0.0 111.989 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.502 2.152 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -59.74 2.69 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.635 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -38.49 -39.27 0.45 Allowed 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.444 ' H ' ' HE2' ' A' ' 8' ' ' MET . 0.0 OUTLIER -88.75 -33.97 17.29 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 123.786 0.679 . . . . 0.0 109.433 -179.843 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.311 -1.086 0 C-N-CA 118.238 -1.385 . . . . 0.0 112.93 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.7 t30 . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 119.044 -0.503 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mt -85.98 -49.44 7.84 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.6 ttm105 . . . . . 0 N--CA 1.497 1.881 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 179.649 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.512 2.661 0 CA-C-O 121.156 0.503 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -63.05 -63.42 1.21 Allowed 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 114.28 -1.327 . . . . 0.0 109.71 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.1 t . . . . . 0 N--CA 1.491 1.61 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.655 -179.933 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.868 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 33.9 t80 . . . . . 0 N--CA 1.497 1.924 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -51.5 -35.44 40.32 Favored 'General case' 0 N--CA 1.5 2.027 0 CA-C-O 120.972 0.415 . . . . 0.0 111.512 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -46.16 86.66 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.129 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 ttp -70.51 -28.33 64.87 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.425 ' C ' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.023 0 N-CA-C 105.912 -1.885 . . . . 0.0 105.912 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 . . . . . 0 N--CA 1.499 1.997 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -90.97 -65.07 1.05 Allowed 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 103.35 -2.833 . . . . 0.0 103.35 179.824 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.445 ' N ' ' HG ' ' A' ' 12' ' ' LEU . 7.6 ptp85 . . . . . 0 C--N 1.307 -1.265 0 CA-C-N 113.413 -1.721 . . . . 0.0 111.412 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' H ' ' C ' ' A' ' 13' ' ' ARG . . . . . . . . 0 N--CA 1.498 1.927 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -58.28 -54.8 42.9 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 114.416 -1.265 . . . . 0.0 107.59 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.8 t . . . . . 0 C--N 1.306 -1.285 0 CA-C-N 113.54 -1.663 . . . . 0.0 110.178 179.914 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 . . . . . 0 N--CA 1.5 2.047 0 CA-C-O 121.203 0.525 . . . . 0.0 109.638 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 7.7 t80 . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 111.341 0.126 . . . . 0.0 111.341 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -64.83 -30.64 71.65 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -69.41 -43.38 73.52 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 mmm -64.46 -31.56 72.82 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.284 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 O-C-N 124.119 0.887 . . . . 0.0 111.419 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 t30 . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 119.578 -0.248 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.81 -43.46 93.07 Favored 'General case' 0 N--CA 1.5 2.075 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 ttm105 . . . . . 0 N--CA 1.495 1.815 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 179.736 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.78 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.48 -37.83 77.43 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 124.041 0.838 . . . . 0.0 108.964 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.491 1.579 0 O-C-N 124.006 0.816 . . . . 0.0 110.669 179.863 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 . . . . . 0 N--CA 1.495 1.825 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 -179.885 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.1 t80 . . . . . 0 N--CA 1.493 1.713 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -58.74 -24.15 61.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 124.254 0.971 . . . . 0.0 112.062 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -60.78 -60.37 3.9 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 124.023 0.827 . . . . 0.0 109.831 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -62.93 -42.58 99.85 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.431 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.712 0 O-C-N 123.901 0.75 . . . . 0.0 112.668 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.02 -55.72 4.59 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.986 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 . . . . . 0 N--CA 1.495 1.792 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.864 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.343 0 CA-C-O 121.363 0.601 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -71.83 -55.24 7.92 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.504 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 37.7 t . . . . . 0 N--CA 1.49 1.535 0 CA-C-N 114.061 -1.427 . . . . 0.0 113.93 -179.796 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 120.219 0.056 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -80.0 -39.79 29.26 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -53.43 -59.97 3.9 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 124.435 1.085 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.528 ' SD ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -60.69 -32.62 71.84 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.17 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.528 HD21 ' SD ' ' A' ' 8' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.813 0 O-C-N 123.886 0.742 . . . . 0.0 111.616 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.45 -42.59 95.88 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.54 0.686 . . . . 0.0 109.797 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? . . . . . 0 N--CA 1.496 1.835 0 CA-C-N 113.752 -1.567 . . . . 0.0 107.739 179.694 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.85 -45.84 85.67 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 114.265 -1.334 . . . . 0.0 108.43 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.5 t . . . . . 0 N--CA 1.485 1.314 0 CA-C-N 114.232 -1.349 . . . . 0.0 110.162 179.836 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 . . . . . 0 N--CA 1.498 1.959 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -179.864 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.4 t80 . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -68.39 -34.32 75.83 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 124.74 1.275 . . . . 0.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -65.39 -46.15 81.19 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 124.297 0.998 . . . . 0.0 111.043 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -66.17 -40.76 90.74 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 114.9 -1.046 . . . . 0.0 108.908 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.493 1.685 0 O-C-N 124.344 1.027 . . . . 0.0 109.402 179.806 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 120.482 0.182 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mt -69.62 -46.05 67.12 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 124.191 0.932 . . . . 0.0 110.805 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.908 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.992 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -95.09 -56.46 2.73 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.342 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.6 t . . . . . 0 N--CA 1.494 1.728 0 CA-C-N 114.898 -1.046 . . . . 0.0 112.562 -179.776 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.881 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 . . . . . 0 N--CA 1.495 1.797 0 O-C-N 124.482 0.754 . . . . 0.0 110.959 -179.878 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.1 t80 . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.18 -12.81 59.99 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 123.776 0.673 . . . . 0.0 111.227 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -71.94 -45.22 61.9 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 123.806 0.691 . . . . 0.0 109.239 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.3 ttp -80.04 -33.72 38.84 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 114.278 -1.328 . . . . 0.0 109.8 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.419 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 1.4 mm? . . . . . 0 N--CA 1.489 1.487 0 O-C-N 123.853 0.721 . . . . 0.0 112.633 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 15' ' ' ALA . 3.1 m-20 . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 110.679 -0.119 . . . . 0.0 110.679 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.56 -33.06 70.95 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.306 -1.311 0 CA-C-N 113.894 -1.503 . . . . 0.0 109.28 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . . . . . . 0 N--CA 1.503 2.216 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -80.84 -56.04 4.4 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.5 t . . . . . 0 C--N 1.307 -1.275 0 CA-C-N 114.252 -1.34 . . . . 0.0 112.007 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.509 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.93 0 O-C-N 124.699 0.882 . . . . 0.0 112.677 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.8 t80 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 120.255 0.074 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -60.0 -31.38 69.87 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 124.309 1.005 . . . . 0.0 110.55 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -62.83 -46.89 85.82 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.12 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.6 tmm? -68.8 -38.56 80.03 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.071 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.508 0 O-C-N 124.33 1.019 . . . . 0.0 110.959 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.7 t30 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 mt -63.47 -55.36 24.76 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 124.156 0.91 . . . . 0.0 112.328 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 . . . . . 0 N--CA 1.492 1.627 0 O-C-N 124.354 1.034 . . . . 0.0 108.353 179.797 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.911 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -75.99 -33.39 59.71 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.188 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.7 t . . . . . 0 N--CA 1.493 1.724 0 O-C-N 123.628 0.58 . . . . 0.0 110.884 -179.881 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.425 0 N-CA-C 110.521 -1.031 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.5 2.055 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 25.7 t80 . . . . . 0 N--CA 1.496 1.839 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -88.39 -46.16 9.39 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 123.683 0.614 . . . . 0.0 111.407 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -46.97 81.77 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 123.946 0.779 . . . . 0.0 109.559 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -63.46 -29.71 70.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 124.024 0.828 . . . . 0.0 109.247 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.494 1.732 0 O-C-N 123.781 0.676 . . . . 0.0 110.971 179.668 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.9 t30 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 110.53 -0.174 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.34 -60.86 2.06 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' NH1' ' CG ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.08 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.714 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 120.59 0.233 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.55 -36.53 68.28 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.168 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 66.9 t . . . . . 0 N--CA 1.494 1.728 0 O-C-N 124.04 0.838 . . . . 0.0 111.253 179.946 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.392 0 CA-C-O 121.042 0.246 . . . . 0.0 112.768 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 N--CA 1.497 1.886 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -179.633 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 93.8 t80 . . . . . 0 N--CA 1.496 1.837 0 N-CA-C 110.961 -0.015 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -63.24 -2.48 1.42 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 123.957 0.786 . . . . 0.0 112.281 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -95.66 -45.91 6.84 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 105.935 -1.876 . . . . 0.0 105.935 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 ttp -77.62 -17.42 57.8 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 113.253 -1.794 . . . . 0.0 112.776 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 123.177 1.465 . . . . 0.0 110.416 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.77 -47.77 29.18 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 123.664 0.602 . . . . 0.0 111.684 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.2 mtp-105 . . . . . 0 N--CA 1.495 1.799 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.912 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.957 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -66.56 -35.83 81.18 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.396 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 N--CA 1.492 1.655 0 O-C-N 123.996 0.81 . . . . 0.0 110.53 -179.92 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.481 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -57.57 -46.77 83.57 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 124.652 0.854 . . . . 0.0 109.84 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -75.06 -39.22 61.03 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 124.31 1.006 . . . . 0.0 111.651 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -69.59 -53.97 16.29 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 124.685 1.24 . . . . 0.0 111.268 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -61.41 -24.93 66.86 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 124.252 0.97 . . . . 0.0 110.768 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.3 ttp -83.65 -35.33 24.65 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mt -65.72 -38.97 90.66 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 124.051 0.844 . . . . 0.0 111.379 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.546 ' C ' ' CD2' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -95.15 -26.82 15.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 125.108 1.505 . . . . 0.0 111.698 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mt -70.65 -54.36 12.24 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 124.042 0.839 . . . . 0.0 110.495 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -13.22 62.33 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.118 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.16 -27.9 62.3 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.978 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -74.91 -36.78 62.18 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.631 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.5 t -58.92 -20.16 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 CA-C-N 114.71 -1.132 . . . . 0.0 112.409 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.27 -37.13 10.12 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 123.97 0.794 . . . . 0.0 112.716 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -70.0 -49.02 55.59 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -73.26 -6.89 48.9 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.351 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.68 -37.81 34.97 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.852 0.835 . . . . 0.0 110.057 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.502 -1.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.834 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -67.34 -24.58 65.73 Favored 'General case' 0 N--CA 1.502 2.151 0 CA-C-O 121.59 0.71 . . . . 0.0 111.218 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.665 ' CD1' ' H ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -65.87 -20.49 66.25 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 114.062 -1.427 . . . . 0.0 113.762 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -32.17 67.52 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -68.33 -57.77 5.41 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.456 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.2 ptm -72.62 -5.96 40.89 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 114.55 -1.205 . . . . 0.0 112.523 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.404 ' HG ' ' N ' ' A' ' 10' ' ' CGU . 0.1 OUTLIER -82.96 -59.23 2.55 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.404 ' N ' ' HG ' ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.07 -34.43 13.68 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 124.599 1.187 . . . . 0.0 110.287 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.61 -49.99 75.33 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 123.814 0.696 . . . . 0.0 112.635 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.9 mmt-85 -70.65 -31.19 68.02 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 123.609 0.568 . . . . 0.0 109.658 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.33 -33.59 16.03 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 124.7 1.25 . . . . 0.0 109.453 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.23 4.77 53.19 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 114.766 -1.107 . . . . 0.0 110.773 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 p -52.44 -41.72 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 124.247 0.967 . . . . 0.0 111.297 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -59.93 -50.38 73.98 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 113.397 -1.729 . . . . 0.0 109.958 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -70.74 -25.3 62.86 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.535 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -73.72 -27.42 61.19 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.485 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.6 -0.89 28.2 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 114.867 -1.06 . . . . 0.0 110.813 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.289 0 O-C-N 118.944 -2.347 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -55.44 33.95 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -72.64 -35.21 67.73 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.126 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.78 -40.55 80.07 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 124.773 1.296 . . . . 0.0 109.504 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -66.41 -48.43 70.08 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 114.626 -1.17 . . . . 0.0 108.797 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.3 tmm? -71.92 -12.64 61.35 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 114.128 -1.396 . . . . 0.0 112.48 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 10' ' ' CGU . 0.0 OUTLIER -80.89 -58.15 3.22 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.417 ' N ' ' HG ' ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -95.41 -34.55 12.07 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 124.55 1.156 . . . . 0.0 108.832 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mt -64.21 -64.78 0.8 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -84.94 19.43 2.12 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 114.325 -1.307 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.489 ' CD2' ' C ' ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.71 -40.02 15.45 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.751 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -35.21 79.37 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.041 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.3 t -57.71 -27.41 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.094 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -54.03 -54.1 43.89 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 124.038 0.836 . . . . 0.0 110.725 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -65.16 -35.1 80.03 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 115.498 -0.774 . . . . 0.0 108.996 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -60.71 -25.11 66.18 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.855 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.52 -34.6 63.05 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 124.093 0.871 . . . . 0.0 109.938 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.289 0 O-C-N 119.357 -2.089 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 108.28 -1.928 . . . . 0.0 108.28 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -31.43 71.12 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.52 ' CD2' ' H ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -64.15 -38.43 91.03 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -61.67 -40.98 96.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 124.608 1.193 . . . . 0.0 109.333 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -58.33 -32.66 68.71 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 123.731 0.644 . . . . 0.0 110.349 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.3 ttp -84.31 -26.39 28.55 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 124.062 0.851 . . . . 0.0 110.254 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.448 ' HG ' ' N ' ' A' ' 10' ' ' CGU . 0.0 OUTLIER -72.7 -61.83 1.67 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 124.061 0.851 . . . . 0.0 108.972 -179.808 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.498 ' C ' ' CD2' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.79 -35.21 11.6 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mt -64.22 -52.29 59.53 Favored 'General case' 0 N--CA 1.499 1.999 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.591 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -42.83 98.1 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.4 -36.97 81.79 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 124.357 1.035 . . . . 0.0 108.306 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -87.78 -53.95 4.5 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 114.449 -1.25 . . . . 0.0 109.716 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.6 t -56.83 -13.36 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 124.489 1.118 . . . . 0.0 112.082 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -50.77 -47.16 59.64 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 123.834 0.709 . . . . 0.0 110.164 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -60.03 -39.33 85.52 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 124.414 1.071 . . . . 0.0 110.645 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -71.71 -25.42 62.07 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.644 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.16 -17.16 33.36 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.098 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 119.212 -2.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -84.81 3.86 35.77 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 124.281 0.636 . . . . 0.0 111.074 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -95.1 -45.62 7.14 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 123.826 0.704 . . . . 0.0 109.211 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -1.52 23.84 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 123.827 0.704 . . . . 0.0 112.585 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -95.6 -39.24 10.02 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.43 -11.54 51.59 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 113.62 -1.627 . . . . 0.0 111.935 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' A' ' 10' ' ' CGU . 0.0 OUTLIER -67.21 -40.95 86.5 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 122.909 1.337 . . . . 0.0 110.653 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.552 ' C ' ' CD2' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -65.58 -11.99 49.09 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 124.22 0.95 . . . . 0.0 111.949 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mt -91.8 -48.37 6.84 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.37 14.82 21.25 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 113.719 -1.582 . . . . 0.0 110.82 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.83 -42.41 10.66 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 113.614 -1.63 . . . . 0.0 109.045 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.61 -19.54 62.83 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 114.401 -1.272 . . . . 0.0 112.358 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.3 t -50.42 -31.06 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 124.029 0.831 . . . . 0.0 110.726 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.19 -56.39 20.51 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.2 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -86.53 -10.23 54.48 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.607 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -85.86 -27.5 25.01 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 123.33 0.394 . . . . 0.0 111.791 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.7 43.08 1.05 Allowed 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 122.269 1.033 . . . . 0.0 110.614 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.095 -2.253 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 108.656 -1.777 . . . . 0.0 108.656 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.42 -20.03 20.71 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 124.882 0.989 . . . . 0.0 111.924 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -94.97 -29.72 14.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 124.326 1.016 . . . . 0.0 109.56 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -61.48 -39.61 91.54 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.36 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 ptpp? -63.23 -41.7 99.13 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 124.189 0.931 . . . . 0.0 111.555 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.2 ptm -86.39 -9.6 56.0 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 124.082 0.864 . . . . 0.0 112.646 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.57 -54.84 4.65 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -75.74 -33.36 60.25 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 125.518 1.761 . . . . 0.0 111.3 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -50.81 72.49 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 123.609 0.568 . . . . 0.0 109.666 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -73.43 -38.06 65.68 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 124.083 0.865 . . . . 0.0 108.908 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.4 -39.6 76.46 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 124.714 1.258 . . . . 0.0 111.111 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -94.38 -18.59 21.42 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 124.398 1.062 . . . . 0.0 112.05 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 68.9 t -62.81 -12.43 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 123.339 0.4 . . . . 0.0 111.771 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -46.39 -37.05 7.06 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 123.674 0.608 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -51.83 65.03 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.652 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -75.59 -5.71 46.72 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.524 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.45 35.81 0.62 Allowed 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 122.048 0.928 . . . . 0.0 110.446 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 118.913 -2.367 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.46 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -62.97 -18.44 63.22 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.446 ' CD2' ' H ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.517 ' N ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -74.88 -33.09 62.02 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 114.605 -1.179 . . . . 0.0 108.061 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -71.78 -28.17 63.44 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 114.363 -1.29 . . . . 0.0 109.615 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -61.94 -52.38 64.28 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 123.991 0.807 . . . . 0.0 109.523 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -69.91 -19.02 63.42 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 114.918 -1.037 . . . . 0.0 112.378 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.44 ' HG ' ' N ' ' A' ' 10' ' ' CGU . 0.1 OUTLIER -80.18 -60.02 2.49 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.44 ' N ' ' HG ' ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -95.05 -31.11 13.74 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 124.279 0.987 . . . . 0.0 109.26 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mt -65.43 -55.44 17.99 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 124.465 1.103 . . . . 0.0 110.211 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.5 mmt-85 -63.66 -36.31 83.41 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 114.594 -1.185 . . . . 0.0 108.903 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.54 96.6 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 124.197 0.935 . . . . 0.0 109.053 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.06 -51.94 27.88 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-N 114.716 -1.129 . . . . 0.0 108.589 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.75 -17.36 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 CA-C-N 114.206 -1.361 . . . . 0.0 112.344 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -57.79 -46.48 84.57 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 123.682 0.614 . . . . 0.0 110.449 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -61.42 -39.5 90.98 Favored 'General case' 0 N--CA 1.496 1.828 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.574 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -73.23 -21.55 60.61 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.278 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.85 -19.61 47.94 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.3 0 O-C-N 119.414 -2.054 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.767 0 N-CA-C 111.723 -0.551 . . . . 0.0 111.723 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -51.32 -49.51 61.22 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 124.495 0.762 . . . . 0.0 111.989 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -95.53 -5.56 42.51 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 124.385 1.053 . . . . 0.0 111.933 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -59.74 2.69 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.635 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -38.49 -39.27 0.45 Allowed 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.444 ' H ' ' HE2' ' A' ' 8' ' ' MET . 0.0 OUTLIER -88.75 -33.97 17.29 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 123.786 0.679 . . . . 0.0 109.433 -179.843 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.77 -44.05 85.94 Favored 'General case' 0 C--N 1.311 -1.086 0 C-N-CA 118.238 -1.385 . . . . 0.0 112.93 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -95.24 5.43 51.76 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 124.472 1.108 . . . . 0.0 112.321 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mt -85.98 -49.44 7.84 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.6 ttm105 -72.44 -44.88 61.77 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.27 -33.99 44.39 Favored 'General case' 0 N--CA 1.512 2.661 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.222 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -63.05 -63.42 1.21 Allowed 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 114.28 -1.327 . . . . 0.0 109.71 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.1 t -60.88 -23.78 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.655 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.23 -36.92 85.64 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.724 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -26.32 68.59 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 119.624 -0.83 . . . . 0.0 110.267 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -72.05 -37.72 69.63 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.04 -8.32 59.66 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.485 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.277 0 O-C-N 119.019 -2.301 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.49 30.46 1.51 Allowed 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.471 ' N ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -81.79 -16.07 52.16 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-N 114.793 -1.094 . . . . 0.0 113.651 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -51.5 -35.44 40.32 Favored 'General case' 0 N--CA 1.5 2.027 0 CA-C-O 120.972 0.415 . . . . 0.0 111.512 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -46.16 86.66 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.129 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 ttp -70.51 -28.33 64.87 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.43 ' CG ' ' N ' ' A' ' 10' ' ' CGU . 0.0 OUTLIER -63.95 -56.14 17.38 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 105.912 -1.885 . . . . 0.0 105.912 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.43 ' N ' ' CG ' ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -95.59 -6.93 39.14 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 124.607 1.192 . . . . 0.0 113.068 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -90.97 -65.07 1.05 Allowed 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 103.35 -2.833 . . . . 0.0 103.35 179.824 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.445 ' N ' ' HG ' ' A' ' 12' ' ' LEU . 7.6 ptp85 -95.6 36.32 1.28 Allowed 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 113.413 -1.721 . . . . 0.0 111.412 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.491 ' CD1' ' C ' ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' H ' ' C ' ' A' ' 13' ' ' ARG . . . -93.04 -42.23 9.54 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 124.797 1.311 . . . . 0.0 109.159 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -58.28 -54.8 42.9 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 114.416 -1.265 . . . . 0.0 107.59 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.7 -30.14 46.39 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 CA-C-N 113.54 -1.663 . . . . 0.0 110.178 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.3 ttpp -62.31 -44.1 97.29 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 124.186 0.929 . . . . 0.0 111.898 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 pttm -63.43 -31.35 72.49 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 123.978 0.799 . . . . 0.0 109.715 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -79.76 -27.5 40.49 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 114.863 -1.062 . . . . 0.0 108.929 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.45 -5.07 56.52 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.621 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.068 -2.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.442 ' H1 ' ' CD2' ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -64.17 -41.74 96.99 Favored 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 121.203 0.525 . . . . 0.0 109.638 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.442 ' CD2' ' H1 ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -72.01 -6.48 42.49 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 114.017 -1.447 . . . . 0.0 111.341 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -64.83 -30.64 71.65 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -69.41 -43.38 73.52 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 mmm -64.46 -31.56 72.82 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.284 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.63 -25.19 67.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 124.119 0.887 . . . . 0.0 111.419 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.461 ' C ' ' CD2' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -95.25 10.38 36.3 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 113.955 -1.475 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.81 -43.46 93.07 Favored 'General case' 0 N--CA 1.5 2.075 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 ttm105 -58.09 -42.07 84.84 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.41 81.71 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 123.727 0.642 . . . . 0.0 109.631 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.48 -37.83 77.43 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 124.041 0.838 . . . . 0.0 108.964 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.5 t -60.25 -35.96 65.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 124.006 0.816 . . . . 0.0 110.669 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -62.15 -59.13 5.5 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 124.103 0.877 . . . . 0.0 110.39 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -65.13 -25.64 67.85 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 123.915 0.76 . . . . 0.0 111.237 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -70.55 -36.63 73.78 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.92 -16.37 47.7 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 114.509 -1.223 . . . . 0.0 109.864 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.282 0 O-C-N 119.259 -2.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -56.47 -20.14 18.65 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -74.43 -56.29 5.02 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.04 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -58.74 -24.15 61.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 124.254 0.971 . . . . 0.0 112.062 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -60.78 -60.37 3.9 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 124.023 0.827 . . . . 0.0 109.831 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -62.93 -42.58 99.85 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.431 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.04 -39.04 80.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 123.901 0.75 . . . . 0.0 112.668 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.91 -6.0 40.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 125.277 1.611 . . . . 0.0 114.93 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.02 -55.72 4.59 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.986 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -67.43 -39.01 85.41 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.65 -40.47 72.27 Favored 'General case' 0 N--CA 1.506 2.343 0 C-N-CA 118.719 -1.192 . . . . 0.0 110.547 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -71.83 -55.24 7.92 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.504 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 37.7 t -61.93 -25.1 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 CA-C-N 114.061 -1.427 . . . . 0.0 113.93 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -50.15 -41.14 48.39 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 123.924 0.765 . . . . 0.0 112.408 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.7 tptt -62.89 -45.23 93.5 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.746 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -97.1 13.23 29.86 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 124.218 0.949 . . . . 0.0 113.006 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.67 6.53 7.15 Favored 'General case' 0 N--CA 1.499 2.022 0 CA-C-O 121.802 0.81 . . . . 0.0 111.323 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 118.984 -2.323 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.85 -43.85 10.92 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.409 ' C ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -61.67 -32.07 72.22 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 124.06 0.85 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -80.0 -39.79 29.26 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -53.43 -59.97 3.9 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 124.435 1.085 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.528 ' SD ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -60.69 -32.62 71.84 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.17 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.528 HD21 ' SD ' ' A' ' 8' ' ' MET . 0.4 OUTLIER -70.53 -31.75 68.93 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 123.886 0.742 . . . . 0.0 111.616 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.17 12.92 27.11 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 113.137 -1.847 . . . . 0.0 110.999 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.45 -42.59 95.88 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.54 0.686 . . . . 0.0 109.797 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -64.23 -22.65 67.02 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 113.752 -1.567 . . . . 0.0 107.739 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.1 79.41 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.85 -45.84 85.67 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 114.265 -1.334 . . . . 0.0 108.43 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.02 -37.89 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 CA-C-N 114.232 -1.349 . . . . 0.0 110.162 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -37.39 71.87 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.463 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -63.19 -42.18 99.31 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 124.112 0.883 . . . . 0.0 108.89 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -63.37 -30.51 71.63 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 124.191 0.932 . . . . 0.0 108.997 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.77 -27.33 44.59 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.638 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.385 -2.072 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -88.18 -30.31 19.86 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.447 ' HG ' ' N ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.447 ' N ' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -62.66 -46.41 88.3 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 124.301 1.001 . . . . 0.0 110.008 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -68.39 -34.32 75.83 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 124.74 1.275 . . . . 0.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -65.39 -46.15 81.19 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 124.297 0.998 . . . . 0.0 111.043 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -66.17 -40.76 90.74 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 114.9 -1.046 . . . . 0.0 108.908 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mt -70.46 -28.19 64.82 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 124.344 1.027 . . . . 0.0 109.402 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -93.36 -28.17 16.33 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 125.174 1.546 . . . . 0.0 111.015 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mt -69.62 -46.05 67.12 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 124.191 0.932 . . . . 0.0 110.805 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -40.06 72.42 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.66 -24.99 59.53 Favored 'General case' 0 N--CA 1.499 1.992 0 C-N-CA 119.5 -0.88 . . . . 0.0 109.225 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -95.09 -56.46 2.73 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.342 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.6 t -56.19 -26.65 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 CA-C-N 114.898 -1.046 . . . . 0.0 112.562 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.487 ' HZ3' ' HA ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -68.97 -37.8 79.0 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.082 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -64.23 -38.5 91.28 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -71.03 -29.91 65.96 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.894 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.03 -11.95 57.64 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.269 0 O-C-N 119.167 -2.208 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.881 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -88.05 -25.85 22.86 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 124.482 0.754 . . . . 0.0 110.959 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -72.57 -56.85 4.71 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.804 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.18 -12.81 59.99 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 123.776 0.673 . . . . 0.0 111.227 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -71.94 -45.22 61.9 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 123.806 0.691 . . . . 0.0 109.239 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.3 ttp -80.04 -33.72 38.84 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 114.278 -1.328 . . . . 0.0 109.8 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.419 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 1.4 mm? -71.61 -32.47 68.05 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 123.853 0.721 . . . . 0.0 112.633 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.428 ' HA ' ' HB3' ' A' ' 14' ' ' CGU . 3.1 m-20 -91.32 -12.13 35.94 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-N 113.154 -1.839 . . . . 0.0 110.679 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.56 -33.06 70.95 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.54 -32.68 12.72 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 113.894 -1.503 . . . . 0.0 109.28 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.428 ' HB3' ' HA ' ' A' ' 11' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . -59.58 -9.76 2.88 Favored 'General case' 0 N--CA 1.503 2.216 0 C-N-CA 120.084 -0.646 . . . . 0.0 111.81 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.419 ' H ' ' C ' ' A' ' 14' ' ' CGU . 1.1 tp10 -80.84 -56.04 4.4 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.5 t -72.29 -3.46 3.96 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 CA-C-N 114.252 -1.34 . . . . 0.0 112.007 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -27.37 45.73 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.073 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -47.1 86.06 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.375 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -73.36 -21.62 60.48 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 114.757 -1.11 . . . . 0.0 111.106 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.42 -52.33 12.38 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 121.839 0.828 . . . . 0.0 110.365 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.234 0 O-C-N 119.14 -2.225 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.509 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.56 -24.14 24.12 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 124.699 0.882 . . . . 0.0 112.677 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -71.07 -25.54 62.67 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.819 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -60.0 -31.38 69.87 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 124.309 1.005 . . . . 0.0 110.55 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -62.83 -46.89 85.82 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.12 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.6 tmm? -68.8 -38.56 80.03 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.071 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.53 -42.75 93.02 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 124.33 1.019 . . . . 0.0 110.959 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -84.94 -31.64 23.49 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 124.985 1.428 . . . . 0.0 110.368 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 mt -63.47 -55.36 24.76 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 124.156 0.91 . . . . 0.0 112.328 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -61.41 -35.77 78.48 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 124.354 1.034 . . . . 0.0 108.353 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.14 -29.4 62.85 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 124.508 1.13 . . . . 0.0 110.166 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -75.99 -33.39 59.71 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.188 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.7 t -53.76 -35.58 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 123.628 0.58 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.81 -59.98 4.34 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.459 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -69.22 -14.9 63.23 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 123.879 0.737 . . . . 0.0 112.058 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -77.42 -3.06 38.36 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 123.644 0.59 . . . . 0.0 110.806 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.85 29.1 0.27 Allowed 'General case' 0 N--CA 1.496 1.844 0 CA-C-O 121.904 0.859 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 118.89 -2.382 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.425 0 N-CA-C 110.521 -1.031 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.92 -20.7 34.84 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -71.79 -12.29 61.22 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 124.455 1.097 . . . . 0.0 112.005 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -88.39 -46.16 9.39 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 123.683 0.614 . . . . 0.0 111.407 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -46.97 81.77 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 123.946 0.779 . . . . 0.0 109.559 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -63.46 -29.71 70.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 124.024 0.828 . . . . 0.0 109.247 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.44 -38.65 84.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 123.781 0.676 . . . . 0.0 110.971 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -94.8 -32.01 13.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 124.922 1.389 . . . . 0.0 110.53 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.34 -60.86 2.06 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' NH1' ' CG ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -69.79 -9.17 53.62 Favored 'General case' 0 N--CA 1.501 2.08 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.714 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.546 ' CD2' ' C ' ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.67 -39.21 70.44 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.23 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.55 -36.53 68.28 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.168 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 66.9 t -53.69 -29.3 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 124.04 0.838 . . . . 0.0 111.253 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.51 -47.98 48.37 Favored 'General case' 0 N--CA 1.498 1.958 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.047 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -76.84 -33.66 57.9 Favored 'General case' 0 N--CA 1.498 1.947 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.201 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.37 -24.86 63.76 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.864 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.67 -45.81 42.07 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 114.622 -1.172 . . . . 0.0 108.966 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.733 -1.855 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.434 ' H2 ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.477 1.392 0 CA-C-O 121.042 0.246 . . . . 0.0 112.768 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -75.26 -34.06 61.34 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.477 ' HG ' ' N ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.477 ' N ' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -61.36 -17.0 51.86 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 123.959 0.787 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -63.24 -2.48 1.42 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 123.957 0.786 . . . . 0.0 112.281 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -95.66 -45.91 6.84 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 105.935 -1.876 . . . . 0.0 105.935 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 ttp -77.62 -17.42 57.8 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 113.253 -1.794 . . . . 0.0 112.776 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.54 ' CD1' ' N ' ' A' ' 10' ' ' CGU . 0.0 OUTLIER -66.66 -46.2 76.48 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 123.177 1.465 . . . . 0.0 110.416 -179.669 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.54 ' N ' ' CD1' ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -81.61 -16.66 50.81 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 113.687 -1.597 . . . . 0.0 112.178 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.77 -47.77 29.18 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 123.664 0.602 . . . . 0.0 111.684 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.418 HH12 ' HA ' ' A' ' 10' ' ' CGU . 3.2 mtp-105 -66.02 -40.65 91.25 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.47 -27.69 66.38 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 124.271 0.982 . . . . 0.0 109.775 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -66.56 -35.83 81.18 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.396 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.6 t -54.65 -41.91 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 123.996 0.81 . . . . 0.0 110.53 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -58.91 -58.94 6.42 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 124.5 1.125 . . . . 0.0 111.208 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -16.76 63.86 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 120.057 -0.657 . . . . 0.0 112.432 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -89.31 3.21 52.89 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 123.478 0.486 . . . . 0.0 110.05 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.33 32.81 0.29 Allowed 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 122.092 0.949 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 118.699 -2.5 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.481 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 N--CA 1.497 1.916 0 O-C-N 124.652 0.854 . . . . 0.0 109.84 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.5 t80 . . . . . 0 N--CA 1.494 1.743 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -69.59 -53.97 16.29 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 124.685 1.24 . . . . 0.0 111.268 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -61.41 -24.93 66.86 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 124.252 0.97 . . . . 0.0 110.768 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.3 ttp -83.65 -35.33 24.65 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 N--CA 1.493 1.719 0 O-C-N 124.051 0.844 . . . . 0.0 111.379 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mt -70.65 -54.36 12.24 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 124.042 0.839 . . . . 0.0 110.495 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.886 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.118 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.964 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -74.91 -36.78 62.18 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.631 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.491 1.584 0 CA-C-N 114.71 -1.132 . . . . 0.0 112.409 -179.861 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.834 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 . . . . . 0 N--CA 1.502 2.151 0 CA-C-O 121.59 0.71 . . . . 0.0 111.218 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.4 t80 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -32.17 67.52 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -68.33 -57.77 5.41 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.456 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.2 ptm -72.62 -5.96 40.89 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 114.55 -1.205 . . . . 0.0 112.523 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.613 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.495 1.819 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.61 -49.99 75.33 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 123.814 0.696 . . . . 0.0 112.635 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 13' ' ' ARG . 25.9 mmt-85 . . . . . 0 N--CA 1.5 2.053 0 O-C-N 123.609 0.568 . . . . 0.0 109.658 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.23 4.77 53.19 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 114.766 -1.107 . . . . 0.0 110.773 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.492 1.667 0 O-C-N 124.247 0.967 . . . . 0.0 111.297 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.5 2.046 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 33.4 t80 . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.78 -40.55 80.07 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 124.773 1.296 . . . . 0.0 109.504 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -66.41 -48.43 70.08 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 114.626 -1.17 . . . . 0.0 108.797 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.3 tmm? -71.92 -12.64 61.35 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 114.128 -1.396 . . . . 0.0 112.48 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.611 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mt -64.21 -64.78 0.8 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.491 ' NH1' HD13 ' A' ' 9' ' ' LEU . 4.4 mtt85 . . . . . 0 N--CA 1.491 1.608 0 CA-C-N 114.325 -1.307 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 120.693 0.282 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -35.21 79.37 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.041 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.3 t . . . . . 0 N--CA 1.49 1.558 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.094 179.807 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 108.28 -1.928 . . . . 0.0 108.28 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.499 1.996 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 68.3 t80 . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -61.67 -40.98 96.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 124.608 1.193 . . . . 0.0 109.333 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -58.33 -32.66 68.71 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 123.731 0.644 . . . . 0.0 110.349 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.3 ttp -84.31 -26.39 28.55 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 124.062 0.851 . . . . 0.0 110.254 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.628 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 O-C-N 124.061 0.851 . . . . 0.0 108.972 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.846 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mt -64.22 -52.29 59.53 Favored 'General case' 0 N--CA 1.499 1.999 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.591 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.83 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.994 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -87.78 -53.95 4.5 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 114.449 -1.25 . . . . 0.0 109.716 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.6 t . . . . . 0 N--CA 1.494 1.728 0 O-C-N 124.489 1.118 . . . . 0.0 112.082 -179.827 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 N--CA 1.496 1.873 0 O-C-N 124.281 0.636 . . . . 0.0 111.074 -179.848 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 59.1 t80 . . . . . 0 N--CA 1.495 1.805 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.763 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -75.25 -1.52 23.84 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 123.827 0.704 . . . . 0.0 112.585 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -95.6 -39.24 10.02 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.43 -11.54 51.59 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 113.62 -1.627 . . . . 0.0 111.935 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 122.909 1.337 . . . . 0.0 110.653 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mt -91.8 -48.37 6.84 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.466 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.855 0 CA-C-N 113.719 -1.582 . . . . 0.0 110.82 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.61 -19.54 62.83 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 114.401 -1.272 . . . . 0.0 112.358 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 13' ' ' ARG . 28.3 t . . . . . 0 N--CA 1.498 1.942 0 O-C-N 124.029 0.831 . . . . 0.0 110.726 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 108.656 -1.777 . . . . 0.0 108.656 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.68 0 O-C-N 124.882 0.989 . . . . 0.0 111.924 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 14.5 t80 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -61.48 -39.61 91.54 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.36 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 ptpp? -63.23 -41.7 99.13 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 124.189 0.931 . . . . 0.0 111.555 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.2 ptm -86.39 -9.6 56.0 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 124.082 0.864 . . . . 0.0 112.646 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.568 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.9 t30 . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 111.3 0.111 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.513 HD12 ' C ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -59.52 -50.81 72.49 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 123.609 0.568 . . . . 0.0 109.666 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.421 ' N ' ' HG ' ' A' ' 12' ' ' LEU . 14.0 tpp180 . . . . . 0 N--CA 1.492 1.646 0 O-C-N 124.083 0.865 . . . . 0.0 108.908 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 120.694 0.283 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -94.38 -18.59 21.42 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 124.398 1.062 . . . . 0.0 112.05 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 68.9 t . . . . . 0 N--CA 1.491 1.594 0 O-C-N 123.339 0.4 . . . . 0.0 111.771 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.46 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 . . . . . 0 N--CA 1.499 2.01 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -179.882 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.5 t80 . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -71.78 -28.17 63.44 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 114.363 -1.29 . . . . 0.0 109.615 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -61.94 -52.38 64.28 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 123.991 0.807 . . . . 0.0 109.523 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -69.91 -19.02 63.42 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 114.918 -1.037 . . . . 0.0 112.378 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.562 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t30 . . . . . 0 N--CA 1.498 1.933 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mt -65.43 -55.44 17.99 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 124.465 1.103 . . . . 0.0 110.211 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.5 mmt-85 . . . . . 0 N--CA 1.495 1.785 0 CA-C-N 114.594 -1.185 . . . . 0.0 108.903 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.003 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.06 -51.94 27.88 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-N 114.716 -1.129 . . . . 0.0 108.589 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.8 t . . . . . 0 N--CA 1.489 1.501 0 CA-C-N 114.206 -1.361 . . . . 0.0 112.344 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.767 0 N-CA-C 111.723 -0.551 . . . . 0.0 111.723 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 . . . . . 0 N--CA 1.502 2.13 0 O-C-N 124.495 0.762 . . . . 0.0 111.989 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.502 2.152 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -59.74 2.69 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.635 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -38.49 -39.27 0.45 Allowed 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.512 ' HE3' ' H ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -88.75 -33.97 17.29 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 123.786 0.679 . . . . 0.0 109.433 -179.843 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.311 -1.086 0 C-N-CA 118.238 -1.385 . . . . 0.0 112.93 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.656 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 2.7 t30 . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 119.044 -0.503 . . . . 0.0 112.321 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mt -85.98 -49.44 7.84 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.6 ttm105 . . . . . 0 N--CA 1.497 1.881 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 179.649 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 11' ' ' ASN . . . . . . . . 0 N--CA 1.512 2.661 0 CA-C-O 121.156 0.503 . . . . 0.0 110.222 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -63.05 -63.42 1.21 Allowed 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 114.28 -1.327 . . . . 0.0 109.71 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.1 t . . . . . 0 N--CA 1.491 1.61 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.655 -179.933 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.868 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 33.9 t80 . . . . . 0 N--CA 1.497 1.924 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -51.5 -35.44 40.32 Favored 'General case' 0 N--CA 1.5 2.027 0 CA-C-O 120.972 0.415 . . . . 0.0 111.512 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -46.16 86.66 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.129 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 ttp -70.51 -28.33 64.87 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.678 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.023 0 N-CA-C 105.912 -1.885 . . . . 0.0 105.912 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 . . . . . 0 N--CA 1.499 1.997 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.448 ' HG ' ' N ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -90.97 -65.07 1.05 Allowed 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 103.35 -2.833 . . . . 0.0 103.35 179.824 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.502 HH11 HD13 ' A' ' 9' ' ' LEU . 7.6 ptp85 . . . . . 0 C--N 1.307 -1.265 0 CA-C-N 113.413 -1.721 . . . . 0.0 111.412 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.927 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -58.28 -54.8 42.9 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 114.416 -1.265 . . . . 0.0 107.59 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.8 t . . . . . 0 C--N 1.306 -1.285 0 CA-C-N 113.54 -1.663 . . . . 0.0 110.178 179.914 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 . . . . . 0 N--CA 1.5 2.047 0 CA-C-O 121.203 0.525 . . . . 0.0 109.638 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 7.7 t80 . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 111.341 0.126 . . . . 0.0 111.341 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -64.83 -30.64 71.65 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -69.41 -43.38 73.52 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 mmm -64.46 -31.56 72.82 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.284 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.447 ' HA ' ' HB3' ' A' ' 12' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 O-C-N 124.119 0.887 . . . . 0.0 111.419 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 t30 . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 119.578 -0.248 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.452 ' HG ' ' N ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -64.81 -43.46 93.07 Favored 'General case' 0 N--CA 1.5 2.075 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.452 ' N ' ' HG ' ' A' ' 12' ' ' LEU . 2.5 ttm105 . . . . . 0 N--CA 1.495 1.815 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.78 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.48 -37.83 77.43 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 124.041 0.838 . . . . 0.0 108.964 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.491 1.579 0 O-C-N 124.006 0.816 . . . . 0.0 110.669 179.863 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 . . . . . 0 N--CA 1.495 1.825 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 -179.885 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.1 t80 . . . . . 0 N--CA 1.493 1.713 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -58.74 -24.15 61.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 124.254 0.971 . . . . 0.0 112.062 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -60.78 -60.37 3.9 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 124.023 0.827 . . . . 0.0 109.831 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -62.93 -42.58 99.85 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.431 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.712 0 O-C-N 123.901 0.75 . . . . 0.0 112.668 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.576 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.503 HD12 ' C ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -81.02 -55.72 4.59 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.986 -179.722 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 . . . . . 0 N--CA 1.495 1.792 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.864 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 11' ' ' ASN . . . . . . . . 0 N--CA 1.506 2.343 0 CA-C-O 121.363 0.601 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -71.83 -55.24 7.92 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.504 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 37.7 t . . . . . 0 N--CA 1.49 1.535 0 CA-C-N 114.061 -1.427 . . . . 0.0 113.93 -179.796 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 120.219 0.056 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -80.0 -39.79 29.26 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -53.43 -59.97 3.9 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 124.435 1.085 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.69 ' SD ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -60.69 -32.62 71.84 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.17 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.69 HD23 ' SD ' ' A' ' 8' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.813 0 O-C-N 123.886 0.742 . . . . 0.0 111.616 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -64.45 -42.59 95.88 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.54 0.686 . . . . 0.0 109.797 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? . . . . . 0 N--CA 1.496 1.835 0 CA-C-N 113.752 -1.567 . . . . 0.0 107.739 179.694 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.85 -45.84 85.67 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 114.265 -1.334 . . . . 0.0 108.43 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.5 t . . . . . 0 N--CA 1.485 1.314 0 CA-C-N 114.232 -1.349 . . . . 0.0 110.162 179.836 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 . . . . . 0 N--CA 1.498 1.959 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -179.864 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.4 t80 . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -68.39 -34.32 75.83 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 124.74 1.275 . . . . 0.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -65.39 -46.15 81.19 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 124.297 0.998 . . . . 0.0 111.043 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -66.17 -40.76 90.74 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 114.9 -1.046 . . . . 0.0 108.908 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.493 1.685 0 O-C-N 124.344 1.027 . . . . 0.0 109.402 179.806 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 120.482 0.182 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mt -69.62 -46.05 67.12 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 124.191 0.932 . . . . 0.0 110.805 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.908 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.992 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -95.09 -56.46 2.73 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.342 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.6 t . . . . . 0 N--CA 1.494 1.728 0 CA-C-N 114.898 -1.046 . . . . 0.0 112.562 -179.776 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.881 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 . . . . . 0 N--CA 1.495 1.797 0 O-C-N 124.482 0.754 . . . . 0.0 110.959 -179.878 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.1 t80 . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.18 -12.81 59.99 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 123.776 0.673 . . . . 0.0 111.227 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -71.94 -45.22 61.9 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 123.806 0.691 . . . . 0.0 109.239 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.3 ttp -80.04 -33.72 38.84 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 114.278 -1.328 . . . . 0.0 109.8 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.464 ' HA ' ' HB3' ' A' ' 12' ' ' LEU . 1.4 mm? . . . . . 0 N--CA 1.489 1.487 0 O-C-N 123.853 0.721 . . . . 0.0 112.633 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 15' ' ' ALA . 3.1 m-20 . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 110.679 -0.119 . . . . 0.0 110.679 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.48 HD12 ' C ' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -59.56 -33.06 70.95 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 179.533 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.306 -1.311 0 CA-C-N 113.894 -1.503 . . . . 0.0 109.28 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . . . . . . 0 N--CA 1.503 2.216 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -80.84 -56.04 4.4 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.5 t . . . . . 0 C--N 1.307 -1.275 0 CA-C-N 114.252 -1.34 . . . . 0.0 112.007 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.509 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.93 0 O-C-N 124.699 0.882 . . . . 0.0 112.677 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.8 t80 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 120.255 0.074 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -60.0 -31.38 69.87 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 124.309 1.005 . . . . 0.0 110.55 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -62.83 -46.89 85.82 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.12 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.6 tmm? -68.8 -38.56 80.03 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.071 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.508 0 O-C-N 124.33 1.019 . . . . 0.0 110.959 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.7 t30 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 mt -63.47 -55.36 24.76 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 124.156 0.91 . . . . 0.0 112.328 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.5 ptm180 . . . . . 0 N--CA 1.492 1.627 0 O-C-N 124.354 1.034 . . . . 0.0 108.353 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.911 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -75.99 -33.39 59.71 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.188 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 13' ' ' ARG . 93.7 t . . . . . 0 N--CA 1.493 1.724 0 O-C-N 123.628 0.58 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.425 0 N-CA-C 110.521 -1.031 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.5 2.055 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 25.7 t80 . . . . . 0 N--CA 1.496 1.839 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -88.39 -46.16 9.39 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 123.683 0.614 . . . . 0.0 111.407 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -46.97 81.77 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 123.946 0.779 . . . . 0.0 109.559 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -63.46 -29.71 70.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 124.024 0.828 . . . . 0.0 109.247 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.494 1.732 0 O-C-N 123.781 0.676 . . . . 0.0 110.971 179.668 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.9 t30 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 110.53 -0.174 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.34 -60.86 2.06 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.459 HH11 ' HG3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.08 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.714 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 120.59 0.233 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.55 -36.53 68.28 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.168 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 66.9 t . . . . . 0 N--CA 1.494 1.728 0 O-C-N 124.04 0.838 . . . . 0.0 111.253 179.946 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.392 0 CA-C-O 121.042 0.246 . . . . 0.0 112.768 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 N--CA 1.497 1.886 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -179.633 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 93.8 t80 . . . . . 0 N--CA 1.496 1.837 0 N-CA-C 110.961 -0.015 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.653 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.9 tp-100 -63.24 -2.48 1.42 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 123.957 0.786 . . . . 0.0 112.281 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -95.66 -45.91 6.84 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 105.935 -1.876 . . . . 0.0 105.935 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 ttp -77.62 -17.42 57.8 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 113.253 -1.794 . . . . 0.0 112.776 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 123.177 1.465 . . . . 0.0 110.416 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -74.77 -47.77 29.18 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 123.664 0.602 . . . . 0.0 111.684 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.2 mtp-105 . . . . . 0 N--CA 1.495 1.799 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.912 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.957 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -66.56 -35.83 81.18 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.396 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 N--CA 1.492 1.655 0 O-C-N 123.996 0.81 . . . . 0.0 110.53 -179.92 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.481 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -57.57 -46.77 83.57 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 124.652 0.854 . . . . 0.0 109.84 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -75.06 -39.22 61.03 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 124.31 1.006 . . . . 0.0 111.651 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -69.59 -53.97 16.29 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 124.685 1.24 . . . . 0.0 111.268 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -61.41 -24.93 66.86 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 124.252 0.97 . . . . 0.0 110.768 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.3 ttp -83.65 -35.33 24.65 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mt -65.72 -38.97 90.66 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 124.051 0.844 . . . . 0.0 111.379 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.546 ' C ' ' CD2' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -95.15 -26.82 15.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 125.108 1.505 . . . . 0.0 111.698 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mt -70.65 -54.36 12.24 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 124.042 0.839 . . . . 0.0 110.495 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -13.22 62.33 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.118 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.16 -27.9 62.3 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.978 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -74.91 -36.78 62.18 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.631 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.5 t -58.92 -20.16 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 CA-C-N 114.71 -1.132 . . . . 0.0 112.409 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.27 -37.13 10.12 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 123.97 0.794 . . . . 0.0 112.716 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -70.0 -49.02 55.59 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -73.26 -6.89 48.9 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.351 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.68 -37.81 34.97 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.852 0.835 . . . . 0.0 110.057 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.502 -1.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.834 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -67.34 -24.58 65.73 Favored 'General case' 0 N--CA 1.502 2.151 0 CA-C-O 121.59 0.71 . . . . 0.0 111.218 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.429 ' N ' ' CD1' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -65.87 -20.49 66.25 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 114.062 -1.427 . . . . 0.0 113.762 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -32.17 67.52 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -68.33 -57.77 5.41 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.456 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.2 ptm -72.62 -5.96 40.89 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 114.55 -1.205 . . . . 0.0 112.523 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.681 ' HG ' ' HN2' ' A' ' 10' ' ' CGU . 0.1 OUTLIER -82.96 -59.23 2.55 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.681 ' HN2' ' HG ' ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.07 -34.43 13.68 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 124.599 1.187 . . . . 0.0 110.287 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.61 -49.99 75.33 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 123.814 0.696 . . . . 0.0 112.635 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 13' ' ' ARG . 25.9 mmt-85 -70.65 -31.19 68.02 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 123.609 0.568 . . . . 0.0 109.658 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.33 -33.59 16.03 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 124.7 1.25 . . . . 0.0 109.453 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.23 4.77 53.19 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 114.766 -1.107 . . . . 0.0 110.773 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 p -52.44 -41.72 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 124.247 0.967 . . . . 0.0 111.297 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -59.93 -50.38 73.98 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 113.397 -1.729 . . . . 0.0 109.958 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -70.74 -25.3 62.86 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.535 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -73.72 -27.42 61.19 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.485 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.6 -0.89 28.2 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 114.867 -1.06 . . . . 0.0 110.813 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.289 0 O-C-N 118.944 -2.347 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -55.44 33.95 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -72.64 -35.21 67.73 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.126 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.78 -40.55 80.07 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 124.773 1.296 . . . . 0.0 109.504 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -66.41 -48.43 70.08 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 114.626 -1.17 . . . . 0.0 108.797 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.3 tmm? -71.92 -12.64 61.35 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 114.128 -1.396 . . . . 0.0 112.48 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.763 ' HG ' ' HN2' ' A' ' 10' ' ' CGU . 0.0 OUTLIER -80.89 -58.15 3.22 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.763 ' HN2' ' HG ' ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -95.41 -34.55 12.07 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 124.55 1.156 . . . . 0.0 108.832 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mt -64.21 -64.78 0.8 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.491 ' NH1' HD13 ' A' ' 9' ' ' LEU . 4.4 mtt85 -84.94 19.43 2.12 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 114.325 -1.307 . . . . 0.0 112.467 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.489 ' C ' ' CD2' ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.71 -40.02 15.45 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.751 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -35.21 79.37 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.041 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.3 t -57.71 -27.41 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.094 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -54.03 -54.1 43.89 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 124.038 0.836 . . . . 0.0 110.725 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -65.16 -35.1 80.03 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 115.498 -0.774 . . . . 0.0 108.996 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -60.71 -25.11 66.18 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.855 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.52 -34.6 63.05 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 124.093 0.871 . . . . 0.0 109.938 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.289 0 O-C-N 119.357 -2.089 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 108.28 -1.928 . . . . 0.0 108.28 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -31.43 71.12 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.453 ' N ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -64.15 -38.43 91.03 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -61.67 -40.98 96.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 124.608 1.193 . . . . 0.0 109.333 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -58.33 -32.66 68.71 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 123.731 0.644 . . . . 0.0 110.349 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.3 ttp -84.31 -26.39 28.55 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 124.062 0.851 . . . . 0.0 110.254 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.628 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -72.7 -61.83 1.67 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 124.061 0.851 . . . . 0.0 108.972 -179.808 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.506 ' N ' ' HG ' ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.79 -35.21 11.6 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mt -64.22 -52.29 59.53 Favored 'General case' 0 N--CA 1.499 1.999 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.591 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -42.83 98.1 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.4 ' HA ' ' HB ' ' A' ' 17' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.4 -36.97 81.79 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 124.357 1.035 . . . . 0.0 108.306 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -87.78 -53.95 4.5 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 114.449 -1.25 . . . . 0.0 109.716 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.4 ' HB ' ' HA ' ' A' ' 14' ' ' CGU . 64.6 t -56.83 -13.36 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 124.489 1.118 . . . . 0.0 112.082 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -50.77 -47.16 59.64 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 123.834 0.709 . . . . 0.0 110.164 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -60.03 -39.33 85.52 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 124.414 1.071 . . . . 0.0 110.645 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -71.71 -25.42 62.07 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.644 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.16 -17.16 33.36 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.098 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 119.212 -2.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -84.81 3.86 35.77 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 124.281 0.636 . . . . 0.0 111.074 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -95.1 -45.62 7.14 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 123.826 0.704 . . . . 0.0 109.211 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.763 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -75.25 -1.52 23.84 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 123.827 0.704 . . . . 0.0 112.585 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -95.6 -39.24 10.02 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.43 -11.54 51.59 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 113.62 -1.627 . . . . 0.0 111.935 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.969 HD13 ' N ' ' A' ' 10' ' ' CGU . 0.0 OUTLIER -67.21 -40.95 86.5 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 122.909 1.337 . . . . 0.0 110.653 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.969 ' N ' HD13 ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -65.58 -11.99 49.09 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 124.22 0.95 . . . . 0.0 111.949 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mt -91.8 -48.37 6.84 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.466 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -95.37 14.82 21.25 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 113.719 -1.582 . . . . 0.0 110.82 -179.791 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.83 -42.41 10.66 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 113.614 -1.63 . . . . 0.0 109.045 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.61 -19.54 62.83 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 114.401 -1.272 . . . . 0.0 112.358 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 13' ' ' ARG . 28.3 t -50.42 -31.06 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 124.029 0.831 . . . . 0.0 110.726 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.19 -56.39 20.51 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.2 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -86.53 -10.23 54.48 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.607 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -85.86 -27.5 25.01 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 123.33 0.394 . . . . 0.0 111.791 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.7 43.08 1.05 Allowed 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 122.269 1.033 . . . . 0.0 110.614 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.095 -2.253 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 108.656 -1.777 . . . . 0.0 108.656 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.42 -20.03 20.71 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 124.882 0.989 . . . . 0.0 111.924 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -94.97 -29.72 14.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 124.326 1.016 . . . . 0.0 109.56 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -61.48 -39.61 91.54 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.36 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 ptpp? -63.23 -41.7 99.13 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 124.189 0.931 . . . . 0.0 111.555 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.2 ptm -86.39 -9.6 56.0 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 124.082 0.864 . . . . 0.0 112.646 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.568 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -83.57 -54.84 4.65 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.567 ' HN2' ' HG ' ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.45 ' HA ' ' HB3' ' A' ' 14' ' ' CGU . 3.9 t30 -75.74 -33.36 60.25 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 125.518 1.761 . . . . 0.0 111.3 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.513 HD12 ' C ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -59.52 -50.81 72.49 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 123.609 0.568 . . . . 0.0 109.666 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.421 ' N ' ' HG ' ' A' ' 12' ' ' LEU . 14.0 tpp180 -73.43 -38.06 65.68 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 124.083 0.865 . . . . 0.0 108.908 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 11' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.4 -39.6 76.46 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 124.714 1.258 . . . . 0.0 111.111 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -94.38 -18.59 21.42 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 124.398 1.062 . . . . 0.0 112.05 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 68.9 t -62.81 -12.43 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 123.339 0.4 . . . . 0.0 111.771 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -46.39 -37.05 7.06 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 123.674 0.608 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -51.83 65.03 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.652 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -75.59 -5.71 46.72 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.524 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.45 35.81 0.62 Allowed 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 122.048 0.928 . . . . 0.0 110.446 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 118.913 -2.367 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.46 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -62.97 -18.44 63.22 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.517 ' N ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -74.88 -33.09 62.02 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 114.605 -1.179 . . . . 0.0 108.061 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -71.78 -28.17 63.44 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 114.363 -1.29 . . . . 0.0 109.615 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -61.94 -52.38 64.28 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 123.991 0.807 . . . . 0.0 109.523 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -69.91 -19.02 63.42 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 114.918 -1.037 . . . . 0.0 112.378 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.562 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -80.18 -60.02 2.49 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.482 ' N ' ' HG ' ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -95.05 -31.11 13.74 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 124.279 0.987 . . . . 0.0 109.26 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mt -65.43 -55.44 17.99 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 124.465 1.103 . . . . 0.0 110.211 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.5 mmt-85 -63.66 -36.31 83.41 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 114.594 -1.185 . . . . 0.0 108.903 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.54 96.6 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 124.197 0.935 . . . . 0.0 109.053 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.06 -51.94 27.88 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-N 114.716 -1.129 . . . . 0.0 108.589 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.75 -17.36 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 CA-C-N 114.206 -1.361 . . . . 0.0 112.344 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -57.79 -46.48 84.57 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 123.682 0.614 . . . . 0.0 110.449 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -61.42 -39.5 90.98 Favored 'General case' 0 N--CA 1.496 1.828 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.574 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -73.23 -21.55 60.61 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.278 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.85 -19.61 47.94 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.3 0 O-C-N 119.414 -2.054 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.767 0 N-CA-C 111.723 -0.551 . . . . 0.0 111.723 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -51.32 -49.51 61.22 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 124.495 0.762 . . . . 0.0 111.989 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -95.53 -5.56 42.51 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 124.385 1.053 . . . . 0.0 111.933 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -59.74 2.69 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.635 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -38.49 -39.27 0.45 Allowed 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.512 ' HE3' ' H ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -88.75 -33.97 17.29 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 123.786 0.679 . . . . 0.0 109.433 -179.843 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.8 OUTLIER -57.77 -44.05 85.94 Favored 'General case' 0 C--N 1.311 -1.086 0 C-N-CA 118.238 -1.385 . . . . 0.0 112.93 -179.717 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.656 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 2.7 t30 -95.24 5.43 51.76 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 124.472 1.108 . . . . 0.0 112.321 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mt -85.98 -49.44 7.84 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.6 ttm105 -72.44 -44.88 61.77 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 11' ' ' ASN . . . -52.27 -33.99 44.39 Favored 'General case' 0 N--CA 1.512 2.661 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.222 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -63.05 -63.42 1.21 Allowed 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 114.28 -1.327 . . . . 0.0 109.71 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.1 t -60.88 -23.78 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.655 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.23 -36.92 85.64 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.724 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -26.32 68.59 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 119.624 -0.83 . . . . 0.0 110.267 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -72.05 -37.72 69.63 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.04 -8.32 59.66 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.485 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.277 0 O-C-N 119.019 -2.301 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.49 30.46 1.51 Allowed 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.471 ' N ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -81.79 -16.07 52.16 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-N 114.793 -1.094 . . . . 0.0 113.651 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -51.5 -35.44 40.32 Favored 'General case' 0 N--CA 1.5 2.027 0 CA-C-O 120.972 0.415 . . . . 0.0 111.512 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -46.16 86.66 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.129 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 ttp -70.51 -28.33 64.87 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.678 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -63.95 -56.14 17.38 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 105.912 -1.885 . . . . 0.0 105.912 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.435 ' N ' ' HG ' ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -95.59 -6.93 39.14 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 124.607 1.192 . . . . 0.0 113.068 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.448 ' HG ' ' N ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -90.97 -65.07 1.05 Allowed 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 103.35 -2.833 . . . . 0.0 103.35 179.824 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.502 HH11 HD13 ' A' ' 9' ' ' LEU . 7.6 ptp85 -95.6 36.32 1.28 Allowed 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 113.413 -1.721 . . . . 0.0 111.412 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.491 ' CD1' ' C ' ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.04 -42.23 9.54 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 124.797 1.311 . . . . 0.0 109.159 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -58.28 -54.8 42.9 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 114.416 -1.265 . . . . 0.0 107.59 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.7 -30.14 46.39 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 CA-C-N 113.54 -1.663 . . . . 0.0 110.178 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.3 ttpp -62.31 -44.1 97.29 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 124.186 0.929 . . . . 0.0 111.898 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 pttm -63.43 -31.35 72.49 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 123.978 0.799 . . . . 0.0 109.715 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -79.76 -27.5 40.49 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 114.863 -1.062 . . . . 0.0 108.929 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.45 -5.07 56.52 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.621 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.068 -2.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -64.17 -41.74 96.99 Favored 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 121.203 0.525 . . . . 0.0 109.638 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -72.01 -6.48 42.49 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 114.017 -1.447 . . . . 0.0 111.341 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -64.83 -30.64 71.65 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -69.41 -43.38 73.52 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 mmm -64.46 -31.56 72.82 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.284 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.447 ' HA ' ' HB3' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -64.63 -25.19 67.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 124.119 0.887 . . . . 0.0 111.419 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.461 ' C ' ' CD2' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.25 10.38 36.3 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 113.955 -1.475 . . . . 0.0 111.135 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.452 ' HG ' ' N ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -64.81 -43.46 93.07 Favored 'General case' 0 N--CA 1.5 2.075 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.452 ' N ' ' HG ' ' A' ' 12' ' ' LEU . 2.5 ttm105 -58.09 -42.07 84.84 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.41 81.71 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 123.727 0.642 . . . . 0.0 109.631 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.48 -37.83 77.43 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 124.041 0.838 . . . . 0.0 108.964 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.5 t -60.25 -35.96 65.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 124.006 0.816 . . . . 0.0 110.669 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -62.15 -59.13 5.5 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 124.103 0.877 . . . . 0.0 110.39 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -65.13 -25.64 67.85 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 123.915 0.76 . . . . 0.0 111.237 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -70.55 -36.63 73.78 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.92 -16.37 47.7 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 114.509 -1.223 . . . . 0.0 109.864 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.282 0 O-C-N 119.259 -2.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -56.47 -20.14 18.65 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -74.43 -56.29 5.02 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.04 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -58.74 -24.15 61.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 124.254 0.971 . . . . 0.0 112.062 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -60.78 -60.37 3.9 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 124.023 0.827 . . . . 0.0 109.831 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -62.93 -42.58 99.85 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.431 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.04 -39.04 80.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 123.901 0.75 . . . . 0.0 112.668 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.576 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -95.91 -6.0 40.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 125.277 1.611 . . . . 0.0 114.93 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.503 HD12 ' C ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -81.02 -55.72 4.59 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.986 -179.722 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -67.43 -39.01 85.41 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 11' ' ' ASN . . . -55.65 -40.47 72.27 Favored 'General case' 0 N--CA 1.506 2.343 0 C-N-CA 118.719 -1.192 . . . . 0.0 110.547 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -71.83 -55.24 7.92 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.504 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.444 ' HA ' HD21 ' A' ' 20' ' ' ASN . 37.7 t -61.93 -25.1 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 CA-C-N 114.061 -1.427 . . . . 0.0 113.93 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -50.15 -41.14 48.39 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 123.924 0.765 . . . . 0.0 112.408 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.7 tptt -62.89 -45.23 93.5 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.746 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.444 HD21 ' HA ' ' A' ' 17' ' ' VAL . 6.5 p30 -97.1 13.23 29.86 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 124.218 0.949 . . . . 0.0 113.006 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.67 6.53 7.15 Favored 'General case' 0 N--CA 1.499 2.022 0 CA-C-O 121.802 0.81 . . . . 0.0 111.323 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 118.984 -2.323 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.85 -43.85 10.92 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.409 ' C ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -61.67 -32.07 72.22 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 124.06 0.85 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -80.0 -39.79 29.26 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -53.43 -59.97 3.9 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 124.435 1.085 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.69 ' SD ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -60.69 -32.62 71.84 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.17 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.69 HD23 ' SD ' ' A' ' 8' ' ' MET . 0.4 OUTLIER -70.53 -31.75 68.93 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 123.886 0.742 . . . . 0.0 111.616 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.17 12.92 27.11 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 113.137 -1.847 . . . . 0.0 110.999 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -64.45 -42.59 95.88 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.54 0.686 . . . . 0.0 109.797 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -64.23 -22.65 67.02 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 113.752 -1.567 . . . . 0.0 107.739 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.1 79.41 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.85 -45.84 85.67 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 114.265 -1.334 . . . . 0.0 108.43 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.02 -37.89 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 CA-C-N 114.232 -1.349 . . . . 0.0 110.162 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -37.39 71.87 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.463 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -63.19 -42.18 99.31 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 124.112 0.883 . . . . 0.0 108.89 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -63.37 -30.51 71.63 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 124.191 0.932 . . . . 0.0 108.997 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.77 -27.33 44.59 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.638 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.385 -2.072 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -88.18 -30.31 19.86 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -62.66 -46.41 88.3 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 124.301 1.001 . . . . 0.0 110.008 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -68.39 -34.32 75.83 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 124.74 1.275 . . . . 0.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -65.39 -46.15 81.19 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 124.297 0.998 . . . . 0.0 111.043 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -66.17 -40.76 90.74 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 114.9 -1.046 . . . . 0.0 108.908 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mt -70.46 -28.19 64.82 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 124.344 1.027 . . . . 0.0 109.402 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.41 ' O ' ' HB3' ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -93.36 -28.17 16.33 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 125.174 1.546 . . . . 0.0 111.015 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mt -69.62 -46.05 67.12 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 124.191 0.932 . . . . 0.0 110.805 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -40.06 72.42 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.41 ' HB3' ' O ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.66 -24.99 59.53 Favored 'General case' 0 N--CA 1.499 1.992 0 C-N-CA 119.5 -0.88 . . . . 0.0 109.225 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -95.09 -56.46 2.73 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.342 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.6 t -56.19 -26.65 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 CA-C-N 114.898 -1.046 . . . . 0.0 112.562 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -37.8 79.0 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.082 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -64.23 -38.5 91.28 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -71.03 -29.91 65.96 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.894 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.03 -11.95 57.64 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.269 0 O-C-N 119.167 -2.208 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.881 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -88.05 -25.85 22.86 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 124.482 0.754 . . . . 0.0 110.959 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -72.57 -56.85 4.71 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.804 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.18 -12.81 59.99 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 123.776 0.673 . . . . 0.0 111.227 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -71.94 -45.22 61.9 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 123.806 0.691 . . . . 0.0 109.239 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.3 ttp -80.04 -33.72 38.84 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 114.278 -1.328 . . . . 0.0 109.8 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.464 ' HA ' ' HB3' ' A' ' 12' ' ' LEU . 1.4 mm? -71.61 -32.47 68.05 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 123.853 0.721 . . . . 0.0 112.633 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.495 ' HA ' ' HB3' ' A' ' 14' ' ' CGU . 3.1 m-20 -91.32 -12.13 35.94 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-N 113.154 -1.839 . . . . 0.0 110.679 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.48 HD12 ' C ' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -59.56 -33.06 70.95 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 179.533 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 14' ' ' CGU . 0.0 OUTLIER -95.54 -32.68 12.72 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 113.894 -1.503 . . . . 0.0 109.28 179.44 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.495 ' HB3' ' HA ' ' A' ' 11' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . -59.58 -9.76 2.88 Favored 'General case' 0 N--CA 1.503 2.216 0 C-N-CA 120.084 -0.646 . . . . 0.0 111.81 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -80.84 -56.04 4.4 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.5 t -72.29 -3.46 3.96 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 CA-C-N 114.252 -1.34 . . . . 0.0 112.007 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -27.37 45.73 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.073 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -47.1 86.06 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.375 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -73.36 -21.62 60.48 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 114.757 -1.11 . . . . 0.0 111.106 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.42 -52.33 12.38 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 121.839 0.828 . . . . 0.0 110.365 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.234 0 O-C-N 119.14 -2.225 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.509 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.56 -24.14 24.12 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 124.699 0.882 . . . . 0.0 112.677 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -71.07 -25.54 62.67 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.819 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -60.0 -31.38 69.87 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 124.309 1.005 . . . . 0.0 110.55 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -62.83 -46.89 85.82 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.12 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.6 tmm? -68.8 -38.56 80.03 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.071 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.53 -42.75 93.02 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 124.33 1.019 . . . . 0.0 110.959 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -84.94 -31.64 23.49 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 124.985 1.428 . . . . 0.0 110.368 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 mt -63.47 -55.36 24.76 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 124.156 0.91 . . . . 0.0 112.328 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.5 ptm180 -61.41 -35.77 78.48 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 124.354 1.034 . . . . 0.0 108.353 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.414 ' HG ' HH22 ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.14 -29.4 62.85 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 124.508 1.13 . . . . 0.0 110.166 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -75.99 -33.39 59.71 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.188 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 13' ' ' ARG . 93.7 t -53.76 -35.58 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 123.628 0.58 . . . . 0.0 110.884 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.81 -59.98 4.34 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.459 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -69.22 -14.9 63.23 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 123.879 0.737 . . . . 0.0 112.058 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -77.42 -3.06 38.36 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 123.644 0.59 . . . . 0.0 110.806 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.85 29.1 0.27 Allowed 'General case' 0 N--CA 1.496 1.844 0 CA-C-O 121.904 0.859 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 118.89 -2.382 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.425 0 N-CA-C 110.521 -1.031 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.92 -20.7 34.84 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -71.79 -12.29 61.22 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 124.455 1.097 . . . . 0.0 112.005 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -88.39 -46.16 9.39 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 123.683 0.614 . . . . 0.0 111.407 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -46.97 81.77 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 123.946 0.779 . . . . 0.0 109.559 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -63.46 -29.71 70.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 124.024 0.828 . . . . 0.0 109.247 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.44 -38.65 84.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 123.781 0.676 . . . . 0.0 110.971 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -94.8 -32.01 13.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 124.922 1.389 . . . . 0.0 110.53 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.34 -60.86 2.06 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.459 HH11 ' HG3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -69.79 -9.17 53.62 Favored 'General case' 0 N--CA 1.501 2.08 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.714 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.546 ' C ' ' CD2' ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.67 -39.21 70.44 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.23 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.55 -36.53 68.28 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.168 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 66.9 t -53.69 -29.3 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 124.04 0.838 . . . . 0.0 111.253 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.51 -47.98 48.37 Favored 'General case' 0 N--CA 1.498 1.958 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.047 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -76.84 -33.66 57.9 Favored 'General case' 0 N--CA 1.498 1.947 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.201 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.37 -24.86 63.76 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.864 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.67 -45.81 42.07 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 114.622 -1.172 . . . . 0.0 108.966 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.733 -1.855 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.407 ' H2 ' ' CD2' ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.477 1.392 0 CA-C-O 121.042 0.246 . . . . 0.0 112.768 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -75.26 -34.06 61.34 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.454 ' HG ' ' N ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.454 ' N ' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -61.36 -17.0 51.86 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 123.959 0.787 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.653 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.9 tp-100 -63.24 -2.48 1.42 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 123.957 0.786 . . . . 0.0 112.281 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -95.66 -45.91 6.84 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 105.935 -1.876 . . . . 0.0 105.935 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 ttp -77.62 -17.42 57.8 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 113.253 -1.794 . . . . 0.0 112.776 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.952 HD13 ' N ' ' A' ' 10' ' ' CGU . 0.0 OUTLIER -66.66 -46.2 76.48 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 123.177 1.465 . . . . 0.0 110.416 -179.669 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.952 ' N ' HD13 ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -81.61 -16.66 50.81 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 113.687 -1.597 . . . . 0.0 112.178 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -74.77 -47.77 29.18 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 123.664 0.602 . . . . 0.0 111.684 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.485 HH12 ' HA ' ' A' ' 10' ' ' CGU . 3.2 mtp-105 -66.02 -40.65 91.25 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.47 -27.69 66.38 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 124.271 0.982 . . . . 0.0 109.775 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -66.56 -35.83 81.18 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.396 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.6 t -54.65 -41.91 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 123.996 0.81 . . . . 0.0 110.53 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -58.91 -58.94 6.42 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 124.5 1.125 . . . . 0.0 111.208 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -16.76 63.86 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 120.057 -0.657 . . . . 0.0 112.432 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -89.31 3.21 52.89 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 123.478 0.486 . . . . 0.0 110.05 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.33 32.81 0.29 Allowed 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 122.092 0.949 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 118.699 -2.5 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.481 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 N--CA 1.497 1.916 0 O-C-N 124.652 0.854 . . . . 0.0 109.84 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.5 t80 . . . . . 0 N--CA 1.494 1.743 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -69.59 -53.97 16.29 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 124.685 1.24 . . . . 0.0 111.268 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -61.41 -24.93 66.86 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 124.252 0.97 . . . . 0.0 110.768 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.3 ttp -83.65 -35.33 24.65 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 N--CA 1.493 1.719 0 O-C-N 124.051 0.844 . . . . 0.0 111.379 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mt -70.65 -54.36 12.24 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 124.042 0.839 . . . . 0.0 110.495 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.886 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.118 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.964 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -74.91 -36.78 62.18 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.631 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.491 1.584 0 CA-C-N 114.71 -1.132 . . . . 0.0 112.409 -179.861 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.834 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 . . . . . 0 N--CA 1.502 2.151 0 CA-C-O 121.59 0.71 . . . . 0.0 111.218 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.4 t80 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -32.17 67.52 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -68.33 -57.77 5.41 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.456 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.2 ptm -72.62 -5.96 40.89 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 114.55 -1.205 . . . . 0.0 112.523 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.613 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.495 1.819 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.61 -49.99 75.33 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 123.814 0.696 . . . . 0.0 112.635 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 13' ' ' ARG . 25.9 mmt-85 . . . . . 0 N--CA 1.5 2.053 0 O-C-N 123.609 0.568 . . . . 0.0 109.658 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.23 4.77 53.19 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 114.766 -1.107 . . . . 0.0 110.773 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.492 1.667 0 O-C-N 124.247 0.967 . . . . 0.0 111.297 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.5 2.046 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 33.4 t80 . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.78 -40.55 80.07 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 124.773 1.296 . . . . 0.0 109.504 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -66.41 -48.43 70.08 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 114.626 -1.17 . . . . 0.0 108.797 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.3 tmm? -71.92 -12.64 61.35 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 114.128 -1.396 . . . . 0.0 112.48 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.611 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mt -64.21 -64.78 0.8 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.491 ' NH1' HD13 ' A' ' 9' ' ' LEU . 4.4 mtt85 . . . . . 0 N--CA 1.491 1.608 0 CA-C-N 114.325 -1.307 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 120.693 0.282 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -35.21 79.37 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.041 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.3 t . . . . . 0 N--CA 1.49 1.558 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.094 179.807 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 108.28 -1.928 . . . . 0.0 108.28 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.499 1.996 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 68.3 t80 . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -61.67 -40.98 96.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 124.608 1.193 . . . . 0.0 109.333 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -58.33 -32.66 68.71 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 123.731 0.644 . . . . 0.0 110.349 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.3 ttp -84.31 -26.39 28.55 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 124.062 0.851 . . . . 0.0 110.254 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.628 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 O-C-N 124.061 0.851 . . . . 0.0 108.972 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.846 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mt -64.22 -52.29 59.53 Favored 'General case' 0 N--CA 1.499 1.999 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.591 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.83 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.994 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -87.78 -53.95 4.5 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 114.449 -1.25 . . . . 0.0 109.716 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.6 t . . . . . 0 N--CA 1.494 1.728 0 O-C-N 124.489 1.118 . . . . 0.0 112.082 -179.827 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 N--CA 1.496 1.873 0 O-C-N 124.281 0.636 . . . . 0.0 111.074 -179.848 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 59.1 t80 . . . . . 0 N--CA 1.495 1.805 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.763 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -75.25 -1.52 23.84 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 123.827 0.704 . . . . 0.0 112.585 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -95.6 -39.24 10.02 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.43 -11.54 51.59 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 113.62 -1.627 . . . . 0.0 111.935 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 122.909 1.337 . . . . 0.0 110.653 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mt -91.8 -48.37 6.84 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.466 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.855 0 CA-C-N 113.719 -1.582 . . . . 0.0 110.82 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.61 -19.54 62.83 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 114.401 -1.272 . . . . 0.0 112.358 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 13' ' ' ARG . 28.3 t . . . . . 0 N--CA 1.498 1.942 0 O-C-N 124.029 0.831 . . . . 0.0 110.726 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 108.656 -1.777 . . . . 0.0 108.656 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.68 0 O-C-N 124.882 0.989 . . . . 0.0 111.924 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 14.5 t80 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -61.48 -39.61 91.54 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.36 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 ptpp? -63.23 -41.7 99.13 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 124.189 0.931 . . . . 0.0 111.555 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.2 ptm -86.39 -9.6 56.0 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 124.082 0.864 . . . . 0.0 112.646 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.568 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.9 t30 . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 111.3 0.111 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.513 ' C ' HD12 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -59.52 -50.81 72.49 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 123.609 0.568 . . . . 0.0 109.666 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.421 ' N ' ' HG ' ' A' ' 12' ' ' LEU . 14.0 tpp180 . . . . . 0 N--CA 1.492 1.646 0 O-C-N 124.083 0.865 . . . . 0.0 108.908 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 120.694 0.283 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -94.38 -18.59 21.42 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 124.398 1.062 . . . . 0.0 112.05 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 68.9 t . . . . . 0 N--CA 1.491 1.594 0 O-C-N 123.339 0.4 . . . . 0.0 111.771 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.46 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 . . . . . 0 N--CA 1.499 2.01 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -179.882 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.5 t80 . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -71.78 -28.17 63.44 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 114.363 -1.29 . . . . 0.0 109.615 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -61.94 -52.38 64.28 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 123.991 0.807 . . . . 0.0 109.523 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -69.91 -19.02 63.42 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 114.918 -1.037 . . . . 0.0 112.378 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.562 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t30 . . . . . 0 N--CA 1.498 1.933 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mt -65.43 -55.44 17.99 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 124.465 1.103 . . . . 0.0 110.211 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.5 mmt-85 . . . . . 0 N--CA 1.495 1.785 0 CA-C-N 114.594 -1.185 . . . . 0.0 108.903 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.003 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.06 -51.94 27.88 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-N 114.716 -1.129 . . . . 0.0 108.589 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.8 t . . . . . 0 N--CA 1.489 1.501 0 CA-C-N 114.206 -1.361 . . . . 0.0 112.344 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.767 0 N-CA-C 111.723 -0.551 . . . . 0.0 111.723 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 . . . . . 0 N--CA 1.502 2.13 0 O-C-N 124.495 0.762 . . . . 0.0 111.989 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.502 2.152 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -59.74 2.69 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.635 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -38.49 -39.27 0.45 Allowed 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.512 ' H ' ' HE3' ' A' ' 8' ' ' MET . 0.0 OUTLIER -88.75 -33.97 17.29 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 123.786 0.679 . . . . 0.0 109.433 -179.843 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.311 -1.086 0 C-N-CA 118.238 -1.385 . . . . 0.0 112.93 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.656 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 2.7 t30 . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 119.044 -0.503 . . . . 0.0 112.321 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mt -85.98 -49.44 7.84 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.6 ttm105 . . . . . 0 N--CA 1.497 1.881 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 179.649 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 11' ' ' ASN . . . . . . . . 0 N--CA 1.512 2.661 0 CA-C-O 121.156 0.503 . . . . 0.0 110.222 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -63.05 -63.42 1.21 Allowed 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 114.28 -1.327 . . . . 0.0 109.71 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.1 t . . . . . 0 N--CA 1.491 1.61 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.655 -179.933 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.868 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 33.9 t80 . . . . . 0 N--CA 1.497 1.924 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -51.5 -35.44 40.32 Favored 'General case' 0 N--CA 1.5 2.027 0 CA-C-O 120.972 0.415 . . . . 0.0 111.512 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -46.16 86.66 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.129 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 ttp -70.51 -28.33 64.87 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.678 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.023 0 N-CA-C 105.912 -1.885 . . . . 0.0 105.912 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 . . . . . 0 N--CA 1.499 1.997 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.448 ' HG ' ' N ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -90.97 -65.07 1.05 Allowed 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 103.35 -2.833 . . . . 0.0 103.35 179.824 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.502 HH11 HD13 ' A' ' 9' ' ' LEU . 7.6 ptp85 . . . . . 0 C--N 1.307 -1.265 0 CA-C-N 113.413 -1.721 . . . . 0.0 111.412 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.927 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -58.28 -54.8 42.9 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 114.416 -1.265 . . . . 0.0 107.59 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.8 t . . . . . 0 C--N 1.306 -1.285 0 CA-C-N 113.54 -1.663 . . . . 0.0 110.178 179.914 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 . . . . . 0 N--CA 1.5 2.047 0 CA-C-O 121.203 0.525 . . . . 0.0 109.638 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 7.7 t80 . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 111.341 0.126 . . . . 0.0 111.341 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -64.83 -30.64 71.65 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -69.41 -43.38 73.52 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 mmm -64.46 -31.56 72.82 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.284 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.447 ' HA ' ' HB3' ' A' ' 12' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 O-C-N 124.119 0.887 . . . . 0.0 111.419 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 t30 . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 119.578 -0.248 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.452 ' HG ' ' N ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -64.81 -43.46 93.07 Favored 'General case' 0 N--CA 1.5 2.075 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.452 ' N ' ' HG ' ' A' ' 12' ' ' LEU . 2.5 ttm105 . . . . . 0 N--CA 1.495 1.815 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.78 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.48 -37.83 77.43 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 124.041 0.838 . . . . 0.0 108.964 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.491 1.579 0 O-C-N 124.006 0.816 . . . . 0.0 110.669 179.863 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 . . . . . 0 N--CA 1.495 1.825 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 -179.885 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.1 t80 . . . . . 0 N--CA 1.493 1.713 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -58.74 -24.15 61.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 124.254 0.971 . . . . 0.0 112.062 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -60.78 -60.37 3.9 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 124.023 0.827 . . . . 0.0 109.831 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -62.93 -42.58 99.85 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.431 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.712 0 O-C-N 123.901 0.75 . . . . 0.0 112.668 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.576 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.503 ' C ' HD12 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -81.02 -55.72 4.59 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.986 -179.722 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 . . . . . 0 N--CA 1.495 1.792 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.864 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 11' ' ' ASN . . . . . . . . 0 N--CA 1.506 2.343 0 CA-C-O 121.363 0.601 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -71.83 -55.24 7.92 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.504 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 37.7 t . . . . . 0 N--CA 1.49 1.535 0 CA-C-N 114.061 -1.427 . . . . 0.0 113.93 -179.796 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 120.219 0.056 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -80.0 -39.79 29.26 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -53.43 -59.97 3.9 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 124.435 1.085 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.69 ' SD ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -60.69 -32.62 71.84 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.17 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.69 HD23 ' SD ' ' A' ' 8' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.813 0 O-C-N 123.886 0.742 . . . . 0.0 111.616 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -64.45 -42.59 95.88 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.54 0.686 . . . . 0.0 109.797 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? . . . . . 0 N--CA 1.496 1.835 0 CA-C-N 113.752 -1.567 . . . . 0.0 107.739 179.694 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.85 -45.84 85.67 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 114.265 -1.334 . . . . 0.0 108.43 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.5 t . . . . . 0 N--CA 1.485 1.314 0 CA-C-N 114.232 -1.349 . . . . 0.0 110.162 179.836 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 . . . . . 0 N--CA 1.498 1.959 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -179.864 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.4 t80 . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -68.39 -34.32 75.83 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 124.74 1.275 . . . . 0.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -65.39 -46.15 81.19 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 124.297 0.998 . . . . 0.0 111.043 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -66.17 -40.76 90.74 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 114.9 -1.046 . . . . 0.0 108.908 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.493 1.685 0 O-C-N 124.344 1.027 . . . . 0.0 109.402 179.806 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 120.482 0.182 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mt -69.62 -46.05 67.12 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 124.191 0.932 . . . . 0.0 110.805 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.908 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.992 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -95.09 -56.46 2.73 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.342 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.6 t . . . . . 0 N--CA 1.494 1.728 0 CA-C-N 114.898 -1.046 . . . . 0.0 112.562 -179.776 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.881 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 . . . . . 0 N--CA 1.495 1.797 0 O-C-N 124.482 0.754 . . . . 0.0 110.959 -179.878 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.1 t80 . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.18 -12.81 59.99 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 123.776 0.673 . . . . 0.0 111.227 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -71.94 -45.22 61.9 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 123.806 0.691 . . . . 0.0 109.239 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.3 ttp -80.04 -33.72 38.84 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 114.278 -1.328 . . . . 0.0 109.8 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.464 ' HA ' ' HB3' ' A' ' 12' ' ' LEU . 1.4 mm? . . . . . 0 N--CA 1.489 1.487 0 O-C-N 123.853 0.721 . . . . 0.0 112.633 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 15' ' ' ALA . 3.1 m-20 . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 110.679 -0.119 . . . . 0.0 110.679 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.48 ' C ' HD12 ' A' ' 12' ' ' LEU . 0.7 OUTLIER -59.56 -33.06 70.95 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 179.533 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.306 -1.311 0 CA-C-N 113.894 -1.503 . . . . 0.0 109.28 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . . . . . . 0 N--CA 1.503 2.216 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -80.84 -56.04 4.4 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.5 t . . . . . 0 C--N 1.307 -1.275 0 CA-C-N 114.252 -1.34 . . . . 0.0 112.007 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.509 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.93 0 O-C-N 124.699 0.882 . . . . 0.0 112.677 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.8 t80 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 120.255 0.074 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -60.0 -31.38 69.87 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 124.309 1.005 . . . . 0.0 110.55 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -62.83 -46.89 85.82 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.12 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.6 tmm? -68.8 -38.56 80.03 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.071 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.508 0 O-C-N 124.33 1.019 . . . . 0.0 110.959 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.7 t30 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 mt -63.47 -55.36 24.76 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 124.156 0.91 . . . . 0.0 112.328 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.5 ptm180 . . . . . 0 N--CA 1.492 1.627 0 O-C-N 124.354 1.034 . . . . 0.0 108.353 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.911 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -75.99 -33.39 59.71 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.188 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 13' ' ' ARG . 93.7 t . . . . . 0 N--CA 1.493 1.724 0 O-C-N 123.628 0.58 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.425 0 N-CA-C 110.521 -1.031 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.5 2.055 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 25.7 t80 . . . . . 0 N--CA 1.496 1.839 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -88.39 -46.16 9.39 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 123.683 0.614 . . . . 0.0 111.407 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -46.97 81.77 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 123.946 0.779 . . . . 0.0 109.559 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -63.46 -29.71 70.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 124.024 0.828 . . . . 0.0 109.247 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.494 1.732 0 O-C-N 123.781 0.676 . . . . 0.0 110.971 179.668 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.9 t30 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 110.53 -0.174 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.34 -60.86 2.06 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.459 ' HG3' HH11 ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.08 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.714 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 120.59 0.233 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.55 -36.53 68.28 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.168 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 66.9 t . . . . . 0 N--CA 1.494 1.728 0 O-C-N 124.04 0.838 . . . . 0.0 111.253 179.946 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.392 0 CA-C-O 121.042 0.246 . . . . 0.0 112.768 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 N--CA 1.497 1.886 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -179.633 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 93.8 t80 . . . . . 0 N--CA 1.496 1.837 0 N-CA-C 110.961 -0.015 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.653 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.9 tp-100 -63.24 -2.48 1.42 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 123.957 0.786 . . . . 0.0 112.281 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -95.66 -45.91 6.84 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 105.935 -1.876 . . . . 0.0 105.935 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 ttp -77.62 -17.42 57.8 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 113.253 -1.794 . . . . 0.0 112.776 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 123.177 1.465 . . . . 0.0 110.416 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -74.77 -47.77 29.18 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 123.664 0.602 . . . . 0.0 111.684 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.2 mtp-105 . . . . . 0 N--CA 1.495 1.799 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.912 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.957 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -66.56 -35.83 81.18 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.396 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 N--CA 1.492 1.655 0 O-C-N 123.996 0.81 . . . . 0.0 110.53 -179.92 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.481 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -57.57 -46.77 83.57 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 124.652 0.854 . . . . 0.0 109.84 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -75.06 -39.22 61.03 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 124.31 1.006 . . . . 0.0 111.651 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -69.59 -53.97 16.29 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 124.685 1.24 . . . . 0.0 111.268 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -61.41 -24.93 66.86 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 124.252 0.97 . . . . 0.0 110.768 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.3 ttp -83.65 -35.33 24.65 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mt -65.72 -38.97 90.66 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 124.051 0.844 . . . . 0.0 111.379 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.546 ' C ' ' CD2' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -95.15 -26.82 15.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 125.108 1.505 . . . . 0.0 111.698 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mt -70.65 -54.36 12.24 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 124.042 0.839 . . . . 0.0 110.495 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -13.22 62.33 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.118 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.16 -27.9 62.3 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.978 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -74.91 -36.78 62.18 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.631 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.5 t -58.92 -20.16 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 CA-C-N 114.71 -1.132 . . . . 0.0 112.409 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.27 -37.13 10.12 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 123.97 0.794 . . . . 0.0 112.716 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -70.0 -49.02 55.59 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -73.26 -6.89 48.9 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.351 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.68 -37.81 34.97 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.852 0.835 . . . . 0.0 110.057 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.502 -1.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.834 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -67.34 -24.58 65.73 Favored 'General case' 0 N--CA 1.502 2.151 0 CA-C-O 121.59 0.71 . . . . 0.0 111.218 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.429 ' N ' ' CD1' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -65.87 -20.49 66.25 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 114.062 -1.427 . . . . 0.0 113.762 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -32.17 67.52 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -68.33 -57.77 5.41 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.456 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.2 ptm -72.62 -5.96 40.89 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 114.55 -1.205 . . . . 0.0 112.523 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.681 ' HG ' ' HN2' ' A' ' 10' ' ' CGU . 0.1 OUTLIER -82.96 -59.23 2.55 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.681 ' HN2' ' HG ' ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.07 -34.43 13.68 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 124.599 1.187 . . . . 0.0 110.287 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.61 -49.99 75.33 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 123.814 0.696 . . . . 0.0 112.635 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 13' ' ' ARG . 25.9 mmt-85 -70.65 -31.19 68.02 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 123.609 0.568 . . . . 0.0 109.658 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.33 -33.59 16.03 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 124.7 1.25 . . . . 0.0 109.453 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.23 4.77 53.19 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 114.766 -1.107 . . . . 0.0 110.773 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 p -52.44 -41.72 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 124.247 0.967 . . . . 0.0 111.297 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -59.93 -50.38 73.98 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 113.397 -1.729 . . . . 0.0 109.958 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -70.74 -25.3 62.86 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.535 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -73.72 -27.42 61.19 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.485 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.6 -0.89 28.2 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 114.867 -1.06 . . . . 0.0 110.813 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.289 0 O-C-N 118.944 -2.347 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -55.44 33.95 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -72.64 -35.21 67.73 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.126 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.78 -40.55 80.07 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 124.773 1.296 . . . . 0.0 109.504 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -66.41 -48.43 70.08 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 114.626 -1.17 . . . . 0.0 108.797 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.3 tmm? -71.92 -12.64 61.35 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 114.128 -1.396 . . . . 0.0 112.48 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.763 ' HG ' ' HN2' ' A' ' 10' ' ' CGU . 0.0 OUTLIER -80.89 -58.15 3.22 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.763 ' HN2' ' HG ' ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -95.41 -34.55 12.07 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 124.55 1.156 . . . . 0.0 108.832 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mt -64.21 -64.78 0.8 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.491 ' NH1' HD13 ' A' ' 9' ' ' LEU . 4.4 mtt85 -84.94 19.43 2.12 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 114.325 -1.307 . . . . 0.0 112.467 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.489 ' CD2' ' C ' ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.71 -40.02 15.45 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.751 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -35.21 79.37 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.041 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.3 t -57.71 -27.41 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.094 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -54.03 -54.1 43.89 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 124.038 0.836 . . . . 0.0 110.725 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -65.16 -35.1 80.03 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 115.498 -0.774 . . . . 0.0 108.996 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -60.71 -25.11 66.18 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.855 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.52 -34.6 63.05 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 124.093 0.871 . . . . 0.0 109.938 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.289 0 O-C-N 119.357 -2.089 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 108.28 -1.928 . . . . 0.0 108.28 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -31.43 71.12 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.453 ' N ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -64.15 -38.43 91.03 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -61.67 -40.98 96.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 124.608 1.193 . . . . 0.0 109.333 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -58.33 -32.66 68.71 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 123.731 0.644 . . . . 0.0 110.349 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.3 ttp -84.31 -26.39 28.55 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 124.062 0.851 . . . . 0.0 110.254 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.628 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -72.7 -61.83 1.67 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 124.061 0.851 . . . . 0.0 108.972 -179.808 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.506 ' N ' ' HG ' ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.79 -35.21 11.6 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mt -64.22 -52.29 59.53 Favored 'General case' 0 N--CA 1.499 1.999 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.591 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -42.83 98.1 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.4 ' HA ' ' HB ' ' A' ' 17' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.4 -36.97 81.79 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 124.357 1.035 . . . . 0.0 108.306 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -87.78 -53.95 4.5 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 114.449 -1.25 . . . . 0.0 109.716 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.4 ' HB ' ' HA ' ' A' ' 14' ' ' CGU . 64.6 t -56.83 -13.36 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 124.489 1.118 . . . . 0.0 112.082 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -50.77 -47.16 59.64 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 123.834 0.709 . . . . 0.0 110.164 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -60.03 -39.33 85.52 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 124.414 1.071 . . . . 0.0 110.645 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -71.71 -25.42 62.07 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.644 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.16 -17.16 33.36 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.098 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 119.212 -2.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -84.81 3.86 35.77 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 124.281 0.636 . . . . 0.0 111.074 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -95.1 -45.62 7.14 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 123.826 0.704 . . . . 0.0 109.211 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.763 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -75.25 -1.52 23.84 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 123.827 0.704 . . . . 0.0 112.585 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -95.6 -39.24 10.02 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.43 -11.54 51.59 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 113.62 -1.627 . . . . 0.0 111.935 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.969 HD13 ' N ' ' A' ' 10' ' ' CGU . 0.0 OUTLIER -67.21 -40.95 86.5 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 122.909 1.337 . . . . 0.0 110.653 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.969 ' N ' HD13 ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -65.58 -11.99 49.09 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 124.22 0.95 . . . . 0.0 111.949 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mt -91.8 -48.37 6.84 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.466 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -95.37 14.82 21.25 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 113.719 -1.582 . . . . 0.0 110.82 -179.791 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.83 -42.41 10.66 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 113.614 -1.63 . . . . 0.0 109.045 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.61 -19.54 62.83 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 114.401 -1.272 . . . . 0.0 112.358 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 13' ' ' ARG . 28.3 t -50.42 -31.06 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 124.029 0.831 . . . . 0.0 110.726 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.19 -56.39 20.51 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.2 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -86.53 -10.23 54.48 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.607 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -85.86 -27.5 25.01 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 123.33 0.394 . . . . 0.0 111.791 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.7 43.08 1.05 Allowed 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 122.269 1.033 . . . . 0.0 110.614 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.095 -2.253 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 108.656 -1.777 . . . . 0.0 108.656 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.42 -20.03 20.71 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 124.882 0.989 . . . . 0.0 111.924 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -94.97 -29.72 14.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 124.326 1.016 . . . . 0.0 109.56 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -61.48 -39.61 91.54 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.36 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 ptpp? -63.23 -41.7 99.13 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 124.189 0.931 . . . . 0.0 111.555 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.2 ptm -86.39 -9.6 56.0 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 124.082 0.864 . . . . 0.0 112.646 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.568 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -83.57 -54.84 4.65 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.567 ' HN2' ' HG ' ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.45 ' HA ' ' HB3' ' A' ' 14' ' ' CGU . 3.9 t30 -75.74 -33.36 60.25 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 125.518 1.761 . . . . 0.0 111.3 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.513 ' C ' HD12 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -59.52 -50.81 72.49 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 123.609 0.568 . . . . 0.0 109.666 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.421 ' N ' ' HG ' ' A' ' 12' ' ' LEU . 14.0 tpp180 -73.43 -38.06 65.68 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 124.083 0.865 . . . . 0.0 108.908 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 11' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.4 -39.6 76.46 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 124.714 1.258 . . . . 0.0 111.111 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -94.38 -18.59 21.42 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 124.398 1.062 . . . . 0.0 112.05 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 68.9 t -62.81 -12.43 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 123.339 0.4 . . . . 0.0 111.771 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -46.39 -37.05 7.06 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 123.674 0.608 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -51.83 65.03 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.652 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -75.59 -5.71 46.72 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.524 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.45 35.81 0.62 Allowed 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 122.048 0.928 . . . . 0.0 110.446 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 118.913 -2.367 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.46 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -62.97 -18.44 63.22 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.517 ' N ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -74.88 -33.09 62.02 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 114.605 -1.179 . . . . 0.0 108.061 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -71.78 -28.17 63.44 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 114.363 -1.29 . . . . 0.0 109.615 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -61.94 -52.38 64.28 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 123.991 0.807 . . . . 0.0 109.523 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -69.91 -19.02 63.42 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 114.918 -1.037 . . . . 0.0 112.378 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.562 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -80.18 -60.02 2.49 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.482 ' N ' ' HG ' ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -95.05 -31.11 13.74 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 124.279 0.987 . . . . 0.0 109.26 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mt -65.43 -55.44 17.99 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 124.465 1.103 . . . . 0.0 110.211 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.5 mmt-85 -63.66 -36.31 83.41 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 114.594 -1.185 . . . . 0.0 108.903 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.54 96.6 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 124.197 0.935 . . . . 0.0 109.053 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.06 -51.94 27.88 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-N 114.716 -1.129 . . . . 0.0 108.589 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.75 -17.36 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 CA-C-N 114.206 -1.361 . . . . 0.0 112.344 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -57.79 -46.48 84.57 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 123.682 0.614 . . . . 0.0 110.449 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -61.42 -39.5 90.98 Favored 'General case' 0 N--CA 1.496 1.828 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.574 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -73.23 -21.55 60.61 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.278 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.85 -19.61 47.94 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.3 0 O-C-N 119.414 -2.054 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.767 0 N-CA-C 111.723 -0.551 . . . . 0.0 111.723 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -51.32 -49.51 61.22 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 124.495 0.762 . . . . 0.0 111.989 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -95.53 -5.56 42.51 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 124.385 1.053 . . . . 0.0 111.933 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -59.74 2.69 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.635 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -38.49 -39.27 0.45 Allowed 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.512 ' H ' ' HE3' ' A' ' 8' ' ' MET . 0.0 OUTLIER -88.75 -33.97 17.29 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 123.786 0.679 . . . . 0.0 109.433 -179.843 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.8 OUTLIER -57.77 -44.05 85.94 Favored 'General case' 0 C--N 1.311 -1.086 0 C-N-CA 118.238 -1.385 . . . . 0.0 112.93 -179.717 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.656 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 2.7 t30 -95.24 5.43 51.76 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 124.472 1.108 . . . . 0.0 112.321 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mt -85.98 -49.44 7.84 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.6 ttm105 -72.44 -44.88 61.77 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 11' ' ' ASN . . . -52.27 -33.99 44.39 Favored 'General case' 0 N--CA 1.512 2.661 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.222 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -63.05 -63.42 1.21 Allowed 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 114.28 -1.327 . . . . 0.0 109.71 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.1 t -60.88 -23.78 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.655 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.23 -36.92 85.64 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.724 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -26.32 68.59 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 119.624 -0.83 . . . . 0.0 110.267 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -72.05 -37.72 69.63 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.04 -8.32 59.66 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.485 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.277 0 O-C-N 119.019 -2.301 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.49 30.46 1.51 Allowed 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.471 ' N ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -81.79 -16.07 52.16 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-N 114.793 -1.094 . . . . 0.0 113.651 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -51.5 -35.44 40.32 Favored 'General case' 0 N--CA 1.5 2.027 0 CA-C-O 120.972 0.415 . . . . 0.0 111.512 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -46.16 86.66 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.129 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 ttp -70.51 -28.33 64.87 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.678 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -63.95 -56.14 17.38 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 105.912 -1.885 . . . . 0.0 105.912 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.435 ' N ' ' HG ' ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -95.59 -6.93 39.14 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 124.607 1.192 . . . . 0.0 113.068 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.448 ' HG ' ' N ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -90.97 -65.07 1.05 Allowed 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 103.35 -2.833 . . . . 0.0 103.35 179.824 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.502 HH11 HD13 ' A' ' 9' ' ' LEU . 7.6 ptp85 -95.6 36.32 1.28 Allowed 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 113.413 -1.721 . . . . 0.0 111.412 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.491 ' CD1' ' C ' ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.04 -42.23 9.54 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 124.797 1.311 . . . . 0.0 109.159 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -58.28 -54.8 42.9 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 114.416 -1.265 . . . . 0.0 107.59 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.7 -30.14 46.39 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 CA-C-N 113.54 -1.663 . . . . 0.0 110.178 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.3 ttpp -62.31 -44.1 97.29 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 124.186 0.929 . . . . 0.0 111.898 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 pttm -63.43 -31.35 72.49 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 123.978 0.799 . . . . 0.0 109.715 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -79.76 -27.5 40.49 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 114.863 -1.062 . . . . 0.0 108.929 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.45 -5.07 56.52 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.621 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.068 -2.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -64.17 -41.74 96.99 Favored 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 121.203 0.525 . . . . 0.0 109.638 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -72.01 -6.48 42.49 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 114.017 -1.447 . . . . 0.0 111.341 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -64.83 -30.64 71.65 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -69.41 -43.38 73.52 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 mmm -64.46 -31.56 72.82 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.284 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.447 ' HA ' ' HB3' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -64.63 -25.19 67.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 124.119 0.887 . . . . 0.0 111.419 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.461 ' C ' ' CD2' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -95.25 10.38 36.3 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 113.955 -1.475 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.452 ' HG ' ' N ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -64.81 -43.46 93.07 Favored 'General case' 0 N--CA 1.5 2.075 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.452 ' N ' ' HG ' ' A' ' 12' ' ' LEU . 2.5 ttm105 -58.09 -42.07 84.84 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.41 81.71 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 123.727 0.642 . . . . 0.0 109.631 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.48 -37.83 77.43 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 124.041 0.838 . . . . 0.0 108.964 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.5 t -60.25 -35.96 65.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 124.006 0.816 . . . . 0.0 110.669 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -62.15 -59.13 5.5 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 124.103 0.877 . . . . 0.0 110.39 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -65.13 -25.64 67.85 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 123.915 0.76 . . . . 0.0 111.237 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -70.55 -36.63 73.78 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.92 -16.37 47.7 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 114.509 -1.223 . . . . 0.0 109.864 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.282 0 O-C-N 119.259 -2.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -56.47 -20.14 18.65 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -74.43 -56.29 5.02 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.04 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -58.74 -24.15 61.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 124.254 0.971 . . . . 0.0 112.062 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -60.78 -60.37 3.9 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 124.023 0.827 . . . . 0.0 109.831 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -62.93 -42.58 99.85 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.431 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.04 -39.04 80.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 123.901 0.75 . . . . 0.0 112.668 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.576 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -95.91 -6.0 40.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 125.277 1.611 . . . . 0.0 114.93 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.503 ' C ' HD12 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -81.02 -55.72 4.59 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.986 -179.722 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -67.43 -39.01 85.41 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 11' ' ' ASN . . . -55.65 -40.47 72.27 Favored 'General case' 0 N--CA 1.506 2.343 0 C-N-CA 118.719 -1.192 . . . . 0.0 110.547 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -71.83 -55.24 7.92 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.504 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.444 ' HA ' HD21 ' A' ' 20' ' ' ASN . 37.7 t -61.93 -25.1 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 CA-C-N 114.061 -1.427 . . . . 0.0 113.93 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -50.15 -41.14 48.39 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 123.924 0.765 . . . . 0.0 112.408 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.7 tptt -62.89 -45.23 93.5 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.746 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.444 HD21 ' HA ' ' A' ' 17' ' ' VAL . 6.5 p30 -97.1 13.23 29.86 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 124.218 0.949 . . . . 0.0 113.006 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.67 6.53 7.15 Favored 'General case' 0 N--CA 1.499 2.022 0 CA-C-O 121.802 0.81 . . . . 0.0 111.323 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 118.984 -2.323 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.85 -43.85 10.92 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.409 ' C ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -61.67 -32.07 72.22 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 124.06 0.85 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -80.0 -39.79 29.26 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -53.43 -59.97 3.9 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 124.435 1.085 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.69 ' SD ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -60.69 -32.62 71.84 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.17 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.69 HD23 ' SD ' ' A' ' 8' ' ' MET . 0.4 OUTLIER -70.53 -31.75 68.93 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 123.886 0.742 . . . . 0.0 111.616 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.17 12.92 27.11 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 113.137 -1.847 . . . . 0.0 110.999 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -64.45 -42.59 95.88 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.54 0.686 . . . . 0.0 109.797 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -64.23 -22.65 67.02 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 113.752 -1.567 . . . . 0.0 107.739 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.1 79.41 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.85 -45.84 85.67 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 114.265 -1.334 . . . . 0.0 108.43 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.02 -37.89 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 CA-C-N 114.232 -1.349 . . . . 0.0 110.162 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -37.39 71.87 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.463 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -63.19 -42.18 99.31 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 124.112 0.883 . . . . 0.0 108.89 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -63.37 -30.51 71.63 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 124.191 0.932 . . . . 0.0 108.997 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.77 -27.33 44.59 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.638 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.385 -2.072 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -88.18 -30.31 19.86 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -62.66 -46.41 88.3 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 124.301 1.001 . . . . 0.0 110.008 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -68.39 -34.32 75.83 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 124.74 1.275 . . . . 0.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -65.39 -46.15 81.19 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 124.297 0.998 . . . . 0.0 111.043 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -66.17 -40.76 90.74 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 114.9 -1.046 . . . . 0.0 108.908 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mt -70.46 -28.19 64.82 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 124.344 1.027 . . . . 0.0 109.402 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.41 ' O ' ' HB3' ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -93.36 -28.17 16.33 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 125.174 1.546 . . . . 0.0 111.015 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mt -69.62 -46.05 67.12 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 124.191 0.932 . . . . 0.0 110.805 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -40.06 72.42 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.41 ' HB3' ' O ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.66 -24.99 59.53 Favored 'General case' 0 N--CA 1.499 1.992 0 C-N-CA 119.5 -0.88 . . . . 0.0 109.225 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -95.09 -56.46 2.73 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.342 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.6 t -56.19 -26.65 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 CA-C-N 114.898 -1.046 . . . . 0.0 112.562 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -37.8 79.0 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.082 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -64.23 -38.5 91.28 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -71.03 -29.91 65.96 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.894 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.03 -11.95 57.64 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.269 0 O-C-N 119.167 -2.208 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.881 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -88.05 -25.85 22.86 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 124.482 0.754 . . . . 0.0 110.959 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -72.57 -56.85 4.71 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.804 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.18 -12.81 59.99 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 123.776 0.673 . . . . 0.0 111.227 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -71.94 -45.22 61.9 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 123.806 0.691 . . . . 0.0 109.239 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.3 ttp -80.04 -33.72 38.84 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 114.278 -1.328 . . . . 0.0 109.8 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.464 ' HA ' ' HB3' ' A' ' 12' ' ' LEU . 1.4 mm? -71.61 -32.47 68.05 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 123.853 0.721 . . . . 0.0 112.633 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.495 ' HA ' ' HB3' ' A' ' 14' ' ' CGU . 3.1 m-20 -91.32 -12.13 35.94 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-N 113.154 -1.839 . . . . 0.0 110.679 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.48 ' C ' HD12 ' A' ' 12' ' ' LEU . 0.7 OUTLIER -59.56 -33.06 70.95 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 179.533 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 14' ' ' CGU . 0.0 OUTLIER -95.54 -32.68 12.72 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 113.894 -1.503 . . . . 0.0 109.28 179.44 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.495 ' HB3' ' HA ' ' A' ' 11' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . -59.58 -9.76 2.88 Favored 'General case' 0 N--CA 1.503 2.216 0 C-N-CA 120.084 -0.646 . . . . 0.0 111.81 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -80.84 -56.04 4.4 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.5 t -72.29 -3.46 3.96 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 CA-C-N 114.252 -1.34 . . . . 0.0 112.007 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -27.37 45.73 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.073 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -47.1 86.06 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.375 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -73.36 -21.62 60.48 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 114.757 -1.11 . . . . 0.0 111.106 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.42 -52.33 12.38 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 121.839 0.828 . . . . 0.0 110.365 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.234 0 O-C-N 119.14 -2.225 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.509 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.56 -24.14 24.12 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 124.699 0.882 . . . . 0.0 112.677 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -71.07 -25.54 62.67 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.819 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -60.0 -31.38 69.87 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 124.309 1.005 . . . . 0.0 110.55 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -62.83 -46.89 85.82 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.12 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.6 tmm? -68.8 -38.56 80.03 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.071 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.53 -42.75 93.02 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 124.33 1.019 . . . . 0.0 110.959 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -84.94 -31.64 23.49 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 124.985 1.428 . . . . 0.0 110.368 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 mt -63.47 -55.36 24.76 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 124.156 0.91 . . . . 0.0 112.328 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.5 ptm180 -61.41 -35.77 78.48 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 124.354 1.034 . . . . 0.0 108.353 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.414 ' HG ' HH22 ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.14 -29.4 62.85 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 124.508 1.13 . . . . 0.0 110.166 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -75.99 -33.39 59.71 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.188 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 13' ' ' ARG . 93.7 t -53.76 -35.58 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 123.628 0.58 . . . . 0.0 110.884 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.81 -59.98 4.34 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.459 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -69.22 -14.9 63.23 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 123.879 0.737 . . . . 0.0 112.058 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -77.42 -3.06 38.36 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 123.644 0.59 . . . . 0.0 110.806 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.85 29.1 0.27 Allowed 'General case' 0 N--CA 1.496 1.844 0 CA-C-O 121.904 0.859 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 118.89 -2.382 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.425 0 N-CA-C 110.521 -1.031 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.92 -20.7 34.84 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -71.79 -12.29 61.22 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 124.455 1.097 . . . . 0.0 112.005 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -88.39 -46.16 9.39 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 123.683 0.614 . . . . 0.0 111.407 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -46.97 81.77 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 123.946 0.779 . . . . 0.0 109.559 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -63.46 -29.71 70.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 124.024 0.828 . . . . 0.0 109.247 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.44 -38.65 84.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 123.781 0.676 . . . . 0.0 110.971 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -94.8 -32.01 13.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 124.922 1.389 . . . . 0.0 110.53 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.34 -60.86 2.06 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.459 ' HG3' HH11 ' A' ' 13' ' ' ARG . 0.0 OUTLIER -69.79 -9.17 53.62 Favored 'General case' 0 N--CA 1.501 2.08 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.714 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.546 ' CD2' ' C ' ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.67 -39.21 70.44 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.23 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.55 -36.53 68.28 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.168 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 66.9 t -53.69 -29.3 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 124.04 0.838 . . . . 0.0 111.253 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.51 -47.98 48.37 Favored 'General case' 0 N--CA 1.498 1.958 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.047 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -76.84 -33.66 57.9 Favored 'General case' 0 N--CA 1.498 1.947 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.201 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.37 -24.86 63.76 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.864 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.67 -45.81 42.07 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 114.622 -1.172 . . . . 0.0 108.966 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.733 -1.855 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.407 ' H2 ' ' CD2' ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.477 1.392 0 CA-C-O 121.042 0.246 . . . . 0.0 112.768 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -75.26 -34.06 61.34 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.454 ' HG ' ' N ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.454 ' N ' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -61.36 -17.0 51.86 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 123.959 0.787 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.653 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.9 tp-100 -63.24 -2.48 1.42 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 123.957 0.786 . . . . 0.0 112.281 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -95.66 -45.91 6.84 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 105.935 -1.876 . . . . 0.0 105.935 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 ttp -77.62 -17.42 57.8 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 113.253 -1.794 . . . . 0.0 112.776 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.952 HD13 ' N ' ' A' ' 10' ' ' CGU . 0.0 OUTLIER -66.66 -46.2 76.48 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 123.177 1.465 . . . . 0.0 110.416 -179.669 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.952 ' N ' HD13 ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -81.61 -16.66 50.81 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 113.687 -1.597 . . . . 0.0 112.178 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -74.77 -47.77 29.18 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 123.664 0.602 . . . . 0.0 111.684 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.485 HH12 ' HA ' ' A' ' 10' ' ' CGU . 3.2 mtp-105 -66.02 -40.65 91.25 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.47 -27.69 66.38 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 124.271 0.982 . . . . 0.0 109.775 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -66.56 -35.83 81.18 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.396 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.6 t -54.65 -41.91 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 123.996 0.81 . . . . 0.0 110.53 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -58.91 -58.94 6.42 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 124.5 1.125 . . . . 0.0 111.208 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -16.76 63.86 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 120.057 -0.657 . . . . 0.0 112.432 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -89.31 3.21 52.89 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 123.478 0.486 . . . . 0.0 110.05 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.33 32.81 0.29 Allowed 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 122.092 0.949 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 118.699 -2.5 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_