data_2dd6_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 2dd6 _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 2' ' ' LEU . . . . . 0.71 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.662 ' CZ3' ' HG ' ' A' ' 2' ' ' LEU . 4.1 p90 177.26 -24.71 0.0 OUTLIER 'General case' 0 C--N 1.276 -2.622 0 C-N-CA 118.851 -1.14 . . . . 0.0 110.307 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.657 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -110.85 -4.3 15.3 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 176.662 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.576 ' N ' ' CD2' ' A' ' 7' ' ' LEU 0.256 0.0 OUTLIER -144.83 -35.52 0.33 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -179.387 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.622 ' CB ' ' CA ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -60.17 -12.52 8.84 Favored 'General case' 0 C--O 1.188 -2.175 0 O-C-N 121.622 -0.674 . . . . 0.0 109.446 178.003 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.656 ' CD2' ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -83.82 -35.39 24.28 Favored 'General case' 0 C--N 1.289 -2.041 0 N-CA-C 105.797 -1.927 . . . . 0.0 105.797 178.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.556 ' HD3' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -77.77 -31.29 51.88 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 176.477 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.557 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -85.36 -21.68 28.77 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.519 176.868 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.621 ' N ' ' O ' ' A' ' 6' ' ' LEU . 1.2 t -48.7 -36.45 7.58 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.521 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.573 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 1.7 mp -48.26 -37.75 16.95 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 177.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 9' ' ' LYS . 4.5 mtmt -114.77 28.08 8.97 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 176.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.484 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . . . . . . . . 2 C--O 1.082 -7.746 1 N-CA-C 122.307 4.188 . . . . 0.0 122.307 179.593 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.682 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.986 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.682 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 5.2 p90 173.12 -23.81 0.0 OUTLIER 'General case' 0 C--N 1.288 -2.085 0 CA-C-N 118.747 0.703 . . . . 0.0 109.91 178.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.672 ' HG2' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -112.33 0.68 15.76 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 176.254 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.672 HG22 ' HG2' ' A' ' 4' ' ' LYS 0.254 0.0 OUTLIER -153.66 -35.04 0.11 Allowed 'General case' 0 N--CA 1.498 1.953 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.279 -177.982 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.674 ' CB ' ' CA ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -60.43 -21.77 62.65 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.622 -0.674 . . . . 0.0 110.326 178.329 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.674 HD12 HD21 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -73.22 -37.32 66.47 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 105.756 -1.942 . . . . 0.0 105.756 178.76 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.604 ' HE2' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.03 -31.35 62.86 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 175.526 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.673 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.264 0.0 OUTLIER -93.1 16.95 11.72 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 115.065 -0.97 . . . . 0.0 108.803 176.458 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.655 ' HB ' ' O ' ' A' ' 7' ' ' LEU . 1.2 t -91.49 -31.28 4.89 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.902 0 C-N-CA 119.029 -1.068 . . . . 0.0 109.478 -176.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.543 HD13 HG11 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -54.78 -36.67 65.14 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 177.389 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -96.33 -21.22 17.94 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 176.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.335 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.722 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.911 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.722 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 4.8 p90 170.09 -24.88 0.0 OUTLIER 'General case' 0 C--N 1.282 -2.33 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.63 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -109.61 -2.78 17.31 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 177.056 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.569 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -149.52 -40.57 0.14 Allowed 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -179.258 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.642 ' O ' ' N ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -50.17 -23.8 2.41 Favored 'General case' 0 C--O 1.182 -2.482 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.026 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.664 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -72.35 -38.0 68.69 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 178.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.558 ' HD3' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -75.48 -31.35 60.19 Favored 'General case' 0 C--N 1.286 -2.157 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 176.122 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.57 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.252 0.0 OUTLIER -92.42 14.21 17.27 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 114.945 -1.025 . . . . 0.0 108.73 176.534 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.642 ' N ' ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -89.2 -36.6 8.95 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.309 0 C-N-CA 118.619 -1.232 . . . . 0.0 108.892 -176.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.488 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -48.3 -35.39 12.18 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 177.376 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.464 ' HD2' ' HG3' ' A' ' 9' ' ' LYS . 13.1 ptpt -96.59 -24.46 16.02 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 176.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . . . . . . 0 C--O 1.172 -2.996 0 N-CA-C 119.413 3.116 . . . . 0.0 119.413 178.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.67 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.004 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.67 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 4.9 p90 171.07 -24.56 0.0 OUTLIER 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 118.276 0.489 . . . . 0.0 109.747 178.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.608 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -110.39 -4.97 15.32 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 177.141 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.569 ' OG1' ' CE ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -146.45 -38.31 0.23 Allowed 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -179.106 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.635 ' CD2' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -56.39 -13.17 2.04 Favored 'General case' 0 C--O 1.188 -2.171 0 O-C-N 122.004 -0.435 . . . . 0.0 110.061 177.857 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.669 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -84.45 -36.51 22.27 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 178.78 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.552 ' HD3' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -77.86 -29.86 50.62 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 175.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.571 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -87.06 -19.54 28.45 Favored 'General case' 0 C--O 1.193 -1.877 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 176.747 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.603 ' N ' ' O ' ' A' ' 6' ' ' LEU . 1.2 t -49.17 -42.8 15.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -178.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.462 ' CG ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -47.18 -35.85 7.92 Favored 'General case' 0 N--CA 1.507 2.394 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 176.875 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.1 mtmt -121.87 32.76 5.72 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 124.037 1.875 . . . . 0.0 110.31 177.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 9' ' ' LYS . . . . . . . . 1 C--O 1.358 6.797 1 N-CA-C 127.249 6.018 . . . . 0.0 127.249 178.098 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.679 ' HB2' ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.679 ' CE3' ' HB2' ' A' ' 2' ' ' LEU . 4.9 p90 173.8 -23.8 0.0 OUTLIER 'General case' 0 C--N 1.289 -2.047 0 CA-C-N 118.777 0.717 . . . . 0.0 110.064 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.641 ' HG2' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -111.6 -1.36 15.79 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 176.352 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.641 HG23 ' HG2' ' A' ' 4' ' ' LYS 0.254 0.0 OUTLIER -150.93 -35.7 0.14 Allowed 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 -178.162 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.654 ' CD2' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -61.22 -13.49 18.71 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.626 -0.671 . . . . 0.0 110.521 178.15 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.654 ' CD1' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -82.96 -36.48 25.11 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 178.706 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.583 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -76.14 -28.98 57.62 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 175.562 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.636 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -90.06 -6.6 55.34 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.47 176.793 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.627 ' HB ' ' O ' ' A' ' 7' ' ' LEU . 1.2 t -64.29 -34.15 67.25 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.936 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -37.65 62.7 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 177.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 13' ' ' ALA . 8.6 mtmt -112.38 31.11 6.54 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 176.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.45 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . . . . . . . . 0 N--CA 1.505 2.311 0 C-N-CA 124.585 1.154 . . . . 0.0 112.785 -177.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.711 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.84 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.711 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 5.8 p90 166.53 -23.82 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 121.883 0.849 . . . . 0.0 108.798 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.638 ' HG2' ' NE1' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -109.55 6.43 23.99 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 176.762 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.556 HG21 ' HG3' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -166.21 -35.98 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -177.261 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.672 HD22 HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -57.65 -23.42 51.2 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.732 -0.605 . . . . 0.0 110.243 178.479 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.699 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -72.35 -38.13 68.66 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 105.769 -1.937 . . . . 0.0 105.769 178.641 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.569 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.3 -31.25 63.92 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 175.731 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.65 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.26 0.0 OUTLIER -92.11 16.75 10.65 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.144 -0.934 . . . . 0.0 108.915 176.137 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.669 ' HB ' ' O ' ' A' ' 7' ' ' LEU . 1.2 t -93.83 -31.36 4.47 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 C-N-CA 119.161 -1.016 . . . . 0.0 109.373 -177.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.472 HD13 HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -52.94 -37.12 60.65 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 177.297 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -94.44 -23.0 17.92 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 176.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 C-N-CA 123.204 0.602 . . . . 0.0 111.793 178.218 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.684 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.678 ' CZ3' ' HG ' ' A' ' 2' ' ' LEU . 4.2 p90 176.09 -25.4 0.0 OUTLIER 'General case' 0 C--N 1.281 -2.382 0 C-N-CA 119.52 -0.872 . . . . 0.0 110.255 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.64 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -109.1 -4.13 16.83 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 176.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.558 ' N ' ' CD2' ' A' ' 7' ' ' LEU 0.26 0.0 OUTLIER -147.71 -37.01 0.2 Allowed 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.131 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.64 ' CB ' ' CA ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -55.22 -20.74 11.59 Favored 'General case' 0 C--O 1.18 -2.57 0 O-C-N 121.813 -0.554 . . . . 0.0 109.539 177.894 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.652 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.49 -37.38 63.18 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 106.168 -1.789 . . . . 0.0 106.168 178.456 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.564 ' HD3' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -75.52 -30.23 59.72 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 175.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.566 ' HD3' ' N ' ' A' ' 9' ' ' LYS 0.253 0.1 OUTLIER -93.7 8.82 39.5 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.02 176.268 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.614 ' HB ' ' O ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -81.67 -35.6 13.8 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.914 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.107 -176.808 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.486 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -49.61 -32.54 13.07 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 176.514 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -98.26 -24.56 15.19 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.492 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 9' ' ' LYS 0.317 . . . . . . . 0 C--O 1.299 3.66 0 N-CA-C 104.568 -2.382 . . . . 0.0 104.568 -179.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.7 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.745 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.7 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 4.8 p90 172.5 -23.41 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 118.645 0.657 . . . . 0.0 109.829 178.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.61 ' HG2' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -115.27 5.23 14.65 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 176.178 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.61 HG22 ' HG2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -156.54 -35.93 0.08 Allowed 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.611 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.691 HD22 HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.68 -22.16 61.58 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.647 -0.658 . . . . 0.0 110.005 178.023 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.691 HD13 HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -74.55 -36.98 63.13 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.369 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -73.57 -32.77 64.33 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 105.692 -1.966 . . . . 0.0 105.692 175.352 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.645 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -89.19 9.49 25.48 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.39 176.368 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.656 ' HB ' ' O ' ' A' ' 7' ' ' LEU . 1.1 t -87.81 -29.02 5.48 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -177.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.506 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 2.2 mp -50.87 -38.43 49.41 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 177.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.77 -22.85 17.25 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 176.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.564 0 C-N-CA 123.053 0.541 . . . . 0.0 111.88 178.503 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.71 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.756 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.71 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 6.0 p90 166.81 -23.64 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.648 ' HG2' ' NE1' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -110.12 7.76 23.58 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 176.772 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.525 HG21 ' HG3' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -167.24 -35.84 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -177.262 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.67 HD23 HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -58.06 -21.55 46.18 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.853 -0.529 . . . . 0.0 110.36 178.363 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.671 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -74.99 -37.0 61.98 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 178.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.48 ' HE2' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.55 -32.98 64.48 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 105.769 -1.937 . . . . 0.0 105.769 175.503 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.655 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -88.44 7.59 32.0 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.667 176.435 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.659 ' HB ' ' O ' ' A' ' 7' ' ' LEU . 1.1 t -84.86 -28.7 6.64 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -178.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.52 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 2.6 mp -52.43 -38.45 59.18 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 177.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -98.62 -17.47 18.61 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.606 0 C-N-CA 123.496 0.718 . . . . 0.0 111.956 178.657 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.672 ' HB2' ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.672 ' CE3' ' HB2' ' A' ' 2' ' ' LEU . 4.7 p90 173.51 -23.11 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.96 0 CA-C-N 118.787 0.721 . . . . 0.0 109.916 178.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.637 ' HG2' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -115.51 6.5 14.7 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 176.069 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.637 HG23 ' HG2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -156.94 -36.43 0.08 Allowed 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -178.715 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.674 ' CD2' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -61.9 -14.44 34.17 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 121.671 -0.643 . . . . 0.0 110.534 178.051 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.674 ' CD1' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -82.84 -36.45 25.48 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 179.031 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.595 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.89 -33.54 62.06 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 175.32 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.638 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -82.72 -11.67 58.15 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.703 176.645 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.649 ' HB ' ' O ' ' A' ' 7' ' ' LEU . 1.2 t -62.51 -29.66 47.35 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -178.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.51 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 1.9 mp -53.54 -36.48 61.87 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -115.98 23.38 12.26 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 176.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . . . . . . . . 0 N--CA 1.497 1.895 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.724 -178.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.695 ' HB2' ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.851 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.695 ' CE3' ' HB2' ' A' ' 2' ' ' LEU . 4.8 p90 176.47 -24.09 0.0 OUTLIER 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 119.209 0.913 . . . . 0.0 110.311 179.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.604 ' HG2' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -111.76 0.91 16.4 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 176.312 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.604 HG22 ' HG2' ' A' ' 4' ' ' LYS 0.257 0.1 OUTLIER -153.78 -35.14 0.1 Allowed 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -178.159 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.705 HD23 HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.97 -23.29 63.48 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.584 -0.697 . . . . 0.0 110.108 178.394 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.705 HD13 HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -71.47 -38.09 71.27 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 105.849 -1.908 . . . . 0.0 105.849 178.689 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.599 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -72.92 -30.9 64.26 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 175.898 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.638 ' HA ' ' HD3' ' A' ' 12' ' ' LYS 0.262 0.1 OUTLIER -94.68 18.52 11.44 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 176.369 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.658 ' HB ' ' O ' ' A' ' 7' ' ' LEU . 1.2 t -94.62 -31.64 4.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 C-N-CA 119.256 -0.978 . . . . 0.0 109.775 -176.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.475 HD11 HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -54.03 -37.02 63.66 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 177.086 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.638 ' HD3' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -98.73 -13.87 20.02 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.06 176.543 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.815 0 C-N-CA 123.197 0.599 . . . . 0.0 111.633 178.899 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.708 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.8 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.708 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 5.7 p90 166.53 -23.72 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.635 ' HG2' ' NE1' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -109.51 6.1 23.8 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 176.714 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.556 HG21 ' HG3' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -165.9 -36.26 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 -177.284 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.669 HD23 HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -57.54 -21.67 39.73 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.778 -0.576 . . . . 0.0 110.236 178.434 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.692 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -74.37 -38.25 63.23 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 178.813 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.553 ' HE2' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -72.76 -32.61 65.76 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 105.755 -1.943 . . . . 0.0 105.755 175.64 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.662 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -88.21 8.94 24.71 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.413 176.008 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.661 ' HB ' ' O ' ' A' ' 7' ' ' LEU . 1.1 t -88.92 -28.25 5.27 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.973 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -178.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.481 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 3.6 mp -50.43 -36.61 33.92 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 177.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.428 ' HE2' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -100.8 -19.03 16.16 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 176.566 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 C-N-CA 123.049 0.54 . . . . 0.0 111.882 178.046 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.763 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.798 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.763 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 5.4 p90 164.36 -25.76 0.0 OUTLIER 'General case' 0 C--N 1.285 -2.206 0 CA-C-O 122.241 1.02 . . . . 0.0 108.293 177.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.634 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -104.18 -1.9 26.54 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 177.655 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.565 ' OG1' ' CE ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -158.7 -40.28 0.06 Allowed 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -177.758 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.699 ' O ' ' N ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -46.98 -26.92 1.11 Allowed 'General case' 0 C--O 1.189 -2.129 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.649 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.677 ' CD2' ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -68.7 -40.32 80.09 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 179.671 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.551 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -73.38 -29.52 62.67 Favored 'General case' 0 C--N 1.285 -2.197 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 176.562 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.581 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.255 0.0 OUTLIER -95.44 16.21 17.56 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.017 -0.992 . . . . 0.0 108.426 176.791 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.699 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -96.45 -39.77 9.71 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.181 0 C-N-CA 118.852 -1.139 . . . . 0.0 108.636 -177.297 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.551 ' CD1' ' O ' ' A' ' 8' ' ' LYS . 1.7 mp -44.45 -30.73 0.91 Allowed 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 178.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.464 ' HE3' ' HA ' ' A' ' 9' ' ' LYS . 11.2 ptpt -103.79 -24.29 13.33 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 176.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 10' ' ' VAL 0.268 . . . . . . . 1 C--O 0.974 -13.403 1 CA-C-O 131.428 5.394 . . . . 0.0 104.214 177.181 . . . . . . . . 4 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.714 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.762 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.714 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 6.0 p90 166.22 -23.71 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.636 ' HG2' ' NE1' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -109.48 6.87 24.51 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 176.821 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.554 ' CG2' ' HE3' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -166.9 -35.59 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 -177.138 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.688 HD23 HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -58.01 -20.44 38.57 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.922 -0.487 . . . . 0.0 110.284 178.38 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.688 HD11 HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -76.44 -37.0 57.63 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 105.974 -1.861 . . . . 0.0 105.974 178.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.566 ' HE2' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.55 -30.04 61.6 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 175.68 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.597 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.254 0.0 OUTLIER -91.14 3.94 53.48 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.609 176.43 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.643 ' HB ' ' O ' ' A' ' 7' ' ' LEU . 1.2 t -77.8 -34.5 19.89 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.06 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -177.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -38.73 54.93 Favored 'General case' 0 N--CA 1.502 2.135 0 N-CA-C 106.333 -1.728 . . . . 0.0 106.333 177.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 13' ' ' ALA . 2.7 mtmp? -114.88 31.37 6.72 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 176.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . . . . . . . . 0 N--CA 1.504 2.274 0 C-N-CA 124.414 1.086 . . . . 0.0 112.588 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.687 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.94 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.687 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 5.1 p90 173.42 -24.09 0.0 OUTLIER 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 118.701 0.682 . . . . 0.0 109.889 178.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.649 ' HG2' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -113.15 2.21 15.55 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 176.287 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.649 HG23 ' HG2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -154.09 -35.93 0.1 Allowed 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -178.532 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.668 ' CB ' ' CA ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -59.27 -22.2 60.79 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.617 -0.677 . . . . 0.0 110.114 178.154 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.667 HD12 HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -73.42 -37.17 65.99 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 178.908 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.476 ' HE2' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.34 -31.25 63.85 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 175.634 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.658 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.258 0.1 OUTLIER -92.31 13.47 19.24 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.199 176.378 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.658 ' HB ' ' O ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -90.14 -34.74 6.79 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 C-N-CA 119.56 -0.856 . . . . 0.0 108.811 -177.528 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.51 -39.15 33.02 Favored 'General case' 0 N--CA 1.502 2.145 0 N-CA-C 106.59 -1.634 . . . . 0.0 106.59 177.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -94.06 -23.48 17.98 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 176.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.452 0 C-N-CA 123.379 0.672 . . . . 0.0 112.09 178.35 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.635 ' HA ' ' CG2' ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.71 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -157.43 1.37 0.12 Allowed 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -178.517 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.662 ' CZ3' ' HG ' ' A' ' 2' ' ' LEU . 4.1 p90 177.26 -24.71 0.0 OUTLIER 'General case' 0 C--N 1.276 -2.622 0 C-N-CA 118.851 -1.14 . . . . 0.0 110.307 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.657 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -110.85 -4.3 15.3 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 176.662 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.635 ' CG2' ' HA ' ' A' ' 1' ' ' ALA 0.256 0.0 OUTLIER -144.83 -35.52 0.33 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -179.387 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.622 ' CB ' ' CA ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -60.17 -12.52 8.84 Favored 'General case' 0 C--O 1.188 -2.175 0 O-C-N 121.622 -0.674 . . . . 0.0 109.446 178.003 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.656 ' CD2' ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -83.82 -35.39 24.28 Favored 'General case' 0 C--N 1.289 -2.041 0 N-CA-C 105.797 -1.927 . . . . 0.0 105.797 178.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.556 ' HD3' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -77.77 -31.29 51.88 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 176.477 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.557 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -85.36 -21.68 28.77 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.519 176.868 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.621 ' N ' ' O ' ' A' ' 6' ' ' LEU . 1.2 t -48.7 -36.45 7.58 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.521 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.573 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 1.7 mp -48.26 -37.75 16.95 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 177.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 9' ' ' LYS . 4.5 mtmt -114.77 28.08 8.97 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 176.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.484 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . . . 17.87 133.45 0.0 OUTLIER 'General case' 2 C--O 1.082 -7.746 1 N-CA-C 122.307 4.188 . . . . 0.0 122.307 179.593 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.129 -8.986 1 O-C-N 110.303 -7.748 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.757 ' HA ' ' CG2' ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 119.96 -0.067 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.682 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -154.72 1.44 0.19 Allowed 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 178.864 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.682 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 5.2 p90 173.12 -23.81 0.0 OUTLIER 'General case' 0 C--N 1.288 -2.085 0 CA-C-N 118.747 0.703 . . . . 0.0 109.91 178.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.672 ' HG2' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -112.33 0.68 15.76 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 176.254 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.757 ' CG2' ' HA ' ' A' ' 1' ' ' ALA 0.254 0.0 OUTLIER -153.66 -35.04 0.11 Allowed 'General case' 0 N--CA 1.498 1.953 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.279 -177.982 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.674 ' CB ' ' CA ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -60.43 -21.77 62.65 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.622 -0.674 . . . . 0.0 110.326 178.329 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.674 HD12 HD21 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -73.22 -37.32 66.47 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 105.756 -1.942 . . . . 0.0 105.756 178.76 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.604 ' HE2' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.03 -31.35 62.86 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 175.526 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.673 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.264 0.0 OUTLIER -93.1 16.95 11.72 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 115.065 -0.97 . . . . 0.0 108.803 176.458 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.655 ' HB ' ' O ' ' A' ' 7' ' ' LEU . 1.2 t -91.49 -31.28 4.89 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.902 0 C-N-CA 119.029 -1.068 . . . . 0.0 109.478 -176.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.543 HD13 HG11 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -54.78 -36.67 65.14 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 177.389 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -96.33 -21.22 17.94 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 176.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 58.14 9.38 0.96 Allowed 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.143 0 O-C-N 119.155 -2.216 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.572 ' C ' ' HB2' ' A' ' 6' ' ' LEU . . . . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 111.676 0.251 . . . . 0.0 111.676 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.722 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -154.71 4.28 0.23 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.162 -1.586 . . . . 0.0 114.316 178.585 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.722 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 4.8 p90 170.09 -24.88 0.0 OUTLIER 'General case' 0 C--N 1.282 -2.33 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.63 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -109.61 -2.78 17.31 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 177.056 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.569 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -149.52 -40.57 0.14 Allowed 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -179.258 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.642 ' O ' ' N ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -50.17 -23.8 2.41 Favored 'General case' 0 C--O 1.182 -2.482 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.026 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.664 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -72.35 -38.0 68.69 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 178.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.558 ' HD3' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -75.48 -31.35 60.19 Favored 'General case' 0 C--N 1.286 -2.157 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 176.122 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.57 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.252 0.0 OUTLIER -92.42 14.21 17.27 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 114.945 -1.025 . . . . 0.0 108.73 176.534 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.642 ' N ' ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -89.2 -36.6 8.95 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.309 0 C-N-CA 118.619 -1.232 . . . . 0.0 108.892 -176.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.488 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -48.3 -35.39 12.18 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 177.376 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.464 ' HD2' ' HG3' ' A' ' 9' ' ' LYS . 13.1 ptpt -96.59 -24.46 16.02 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 176.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . 53.55 122.77 0.0 OUTLIER 'General case' 0 C--O 1.172 -2.996 0 N-CA-C 119.413 3.116 . . . . 0.0 119.413 178.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.223 -4.929 1 O-C-N 115.705 -4.372 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.594 ' C ' ' HB2' ' A' ' 6' ' ' LEU . . . . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.67 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -154.76 3.69 0.22 Allowed 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.321 -1.487 . . . . 0.0 114.951 178.821 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.67 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 4.9 p90 171.07 -24.56 0.0 OUTLIER 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 118.276 0.489 . . . . 0.0 109.747 178.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.608 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -110.39 -4.97 15.32 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 177.141 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.576 HG23 ' HA ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -146.45 -38.31 0.23 Allowed 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -179.106 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.635 ' CD2' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -56.39 -13.17 2.04 Favored 'General case' 0 C--O 1.188 -2.171 0 O-C-N 122.004 -0.435 . . . . 0.0 110.061 177.857 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.669 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -84.45 -36.51 22.27 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 178.78 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.552 ' HD3' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -77.86 -29.86 50.62 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 175.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.571 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -87.06 -19.54 28.45 Favored 'General case' 0 C--O 1.193 -1.877 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 176.747 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.603 ' N ' ' O ' ' A' ' 6' ' ' LEU . 1.2 t -49.17 -42.8 15.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -178.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.462 ' CG ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -47.18 -35.85 7.92 Favored 'General case' 0 N--CA 1.507 2.394 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 176.875 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.1 mtmt -121.87 32.76 5.72 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 124.037 1.875 . . . . 0.0 110.31 177.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 9' ' ' LYS . . . 11.73 83.81 0.01 OUTLIER 'General case' 1 C--O 1.358 6.797 1 N-CA-C 127.249 6.018 . . . . 0.0 127.249 178.098 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.097 1 CA-C-N 98.716 -8.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.717 ' HA ' ' CG2' ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.493 1.7 0 N-CA-C 111.24 0.089 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.679 ' HB2' ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -154.45 0.01 0.19 Allowed 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 178.681 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.679 ' CE3' ' HB2' ' A' ' 2' ' ' LEU . 4.9 p90 173.8 -23.8 0.0 OUTLIER 'General case' 0 C--N 1.289 -2.047 0 CA-C-N 118.777 0.717 . . . . 0.0 110.064 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.641 ' HG2' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -111.6 -1.36 15.79 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 176.352 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.717 ' CG2' ' HA ' ' A' ' 1' ' ' ALA 0.254 0.0 OUTLIER -150.93 -35.7 0.14 Allowed 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 -178.162 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.654 ' CD2' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -61.22 -13.49 18.71 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.626 -0.671 . . . . 0.0 110.521 178.15 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.654 ' CD1' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -82.96 -36.48 25.11 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 178.706 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.583 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -76.14 -28.98 57.62 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 175.562 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.636 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -90.06 -6.6 55.34 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.47 176.793 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.627 ' HB ' ' O ' ' A' ' 7' ' ' LEU . 1.2 t -64.29 -34.15 67.25 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.936 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -37.65 62.7 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 177.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 13' ' ' ALA . 8.6 mtmt -112.38 31.11 6.54 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 176.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.45 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . . . 16.81 91.52 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.311 0 C-N-CA 124.585 1.154 . . . . 0.0 112.785 -177.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.759 -1.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.776 ' HA ' ' CG2' ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.494 1.77 0 N-CA-C 111.18 0.067 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.711 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -156.21 5.35 0.18 Allowed 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 178.701 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.711 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 5.8 p90 166.53 -23.82 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 121.883 0.849 . . . . 0.0 108.798 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.638 ' HG2' ' NE1' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -109.55 6.43 23.99 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 176.762 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.776 ' CG2' ' HA ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -166.21 -35.98 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -177.261 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.672 HD22 HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -57.65 -23.42 51.2 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.732 -0.605 . . . . 0.0 110.243 178.479 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.699 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -72.35 -38.13 68.66 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 105.769 -1.937 . . . . 0.0 105.769 178.641 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.569 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.3 -31.25 63.92 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 175.731 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.65 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.26 0.0 OUTLIER -92.11 16.75 10.65 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.144 -0.934 . . . . 0.0 108.915 176.137 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.669 ' HB ' ' O ' ' A' ' 7' ' ' LEU . 1.2 t -93.83 -31.36 4.47 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 C-N-CA 119.161 -1.016 . . . . 0.0 109.373 -177.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.472 HD13 HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -52.94 -37.12 60.65 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 177.297 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -94.44 -23.0 17.92 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 176.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 60.39 112.78 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.204 0.602 . . . . 0.0 111.793 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.247 0 O-C-N 119.662 -1.899 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.647 ' HA ' ' CG2' ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.497 1.914 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.684 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -157.81 1.6 0.11 Allowed 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 -178.412 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.678 ' CZ3' ' HG ' ' A' ' 2' ' ' LEU . 4.2 p90 176.09 -25.4 0.0 OUTLIER 'General case' 0 C--N 1.281 -2.382 0 C-N-CA 119.52 -0.872 . . . . 0.0 110.255 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.64 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -109.1 -4.13 16.83 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 176.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.647 ' CG2' ' HA ' ' A' ' 1' ' ' ALA 0.26 0.0 OUTLIER -147.71 -37.01 0.2 Allowed 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.131 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.64 ' CB ' ' CA ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -55.22 -20.74 11.59 Favored 'General case' 0 C--O 1.18 -2.57 0 O-C-N 121.813 -0.554 . . . . 0.0 109.539 177.894 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.652 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.49 -37.38 63.18 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 106.168 -1.789 . . . . 0.0 106.168 178.456 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.564 ' HD3' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -75.52 -30.23 59.72 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 175.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.566 ' HD3' ' N ' ' A' ' 9' ' ' LYS 0.253 0.1 OUTLIER -93.7 8.82 39.5 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.02 176.268 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.614 ' HB ' ' O ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -81.67 -35.6 13.8 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.914 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.107 -176.808 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.486 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -49.61 -32.54 13.07 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 176.514 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -98.26 -24.56 15.19 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.492 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 9' ' ' LYS 0.317 . . 59.29 153.21 0.02 OUTLIER 'General case' 0 C--O 1.299 3.66 0 N-CA-C 104.568 -2.382 . . . . 0.0 104.568 -179.393 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 1 CA-C-N 105.293 -5.412 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.807 ' HA ' ' CG2' ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.495 1.78 0 N-CA-C 111.21 0.078 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.7 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -154.49 -3.01 0.17 Allowed 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 178.158 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.7 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 4.8 p90 172.5 -23.41 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 118.645 0.657 . . . . 0.0 109.829 178.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.61 ' HG2' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -115.27 5.23 14.65 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 176.178 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.807 ' CG2' ' HA ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -156.54 -35.93 0.08 Allowed 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.611 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.691 HD22 HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.68 -22.16 61.58 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.647 -0.658 . . . . 0.0 110.005 178.023 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.691 HD13 HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -74.55 -36.98 63.13 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.369 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -73.57 -32.77 64.33 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 105.692 -1.966 . . . . 0.0 105.692 175.352 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.645 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -89.19 9.49 25.48 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.39 176.368 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.656 ' HB ' ' O ' ' A' ' 7' ' ' LEU . 1.1 t -87.81 -29.02 5.48 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -177.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.506 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 2.2 mp -50.87 -38.43 49.41 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 177.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.77 -22.85 17.25 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 176.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 58.87 174.21 0.07 Allowed 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.053 0.541 . . . . 0.0 111.88 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.23 0 O-C-N 119.682 -1.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.777 ' HA ' ' CG2' ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 111.161 0.06 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.71 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -155.37 4.79 0.21 Allowed 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 178.664 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.71 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 6.0 p90 166.81 -23.64 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.648 ' HG2' ' NE1' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -110.12 7.76 23.58 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 176.772 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.777 ' CG2' ' HA ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -167.24 -35.84 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -177.262 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.67 HD23 HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -58.06 -21.55 46.18 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.853 -0.529 . . . . 0.0 110.36 178.363 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.671 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -74.99 -37.0 61.98 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 178.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.48 ' HE2' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.55 -32.98 64.48 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 105.769 -1.937 . . . . 0.0 105.769 175.503 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.655 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -88.44 7.59 32.0 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.667 176.435 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.659 ' HB ' ' O ' ' A' ' 7' ' ' LEU . 1.1 t -84.86 -28.7 6.64 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -178.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.52 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 2.6 mp -52.43 -38.45 59.18 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 177.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -98.62 -17.47 18.61 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 58.69 109.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.496 0.718 . . . . 0.0 111.956 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.224 0 O-C-N 119.803 -1.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.818 ' HA ' ' CG2' ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 120.177 0.037 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.672 ' HB2' ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -154.72 -4.32 0.15 Allowed 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 178.039 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.672 ' CE3' ' HB2' ' A' ' 2' ' ' LEU . 4.7 p90 173.51 -23.11 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.96 0 CA-C-N 118.787 0.721 . . . . 0.0 109.916 178.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.637 ' HG2' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -115.51 6.5 14.7 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 176.069 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.818 ' CG2' ' HA ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -156.94 -36.43 0.08 Allowed 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -178.715 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.694 ' HB2' ' C ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -61.9 -14.44 34.17 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 121.671 -0.643 . . . . 0.0 110.534 178.051 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.674 ' CD1' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -82.84 -36.45 25.48 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 179.031 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.595 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.89 -33.54 62.06 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 175.32 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.638 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -82.72 -11.67 58.15 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.703 176.645 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.649 ' HB ' ' O ' ' A' ' 7' ' ' LEU . 1.2 t -62.51 -29.66 47.35 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -178.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.51 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 1.9 mp -53.54 -36.48 61.87 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -115.98 23.38 12.26 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 176.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . . . 29.09 73.69 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.724 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.189 0 O-C-N 119.757 -1.839 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.785 ' HA ' ' CG2' ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.497 1.911 0 N-CA-C 110.669 -0.123 . . . . 0.0 110.669 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.695 ' HB2' ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -156.25 -0.52 0.13 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.695 ' CE3' ' HB2' ' A' ' 2' ' ' LEU . 4.8 p90 176.47 -24.09 0.0 OUTLIER 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 119.209 0.913 . . . . 0.0 110.311 179.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.604 ' HG2' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -111.76 0.91 16.4 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 176.312 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.785 ' CG2' ' HA ' ' A' ' 1' ' ' ALA 0.257 0.1 OUTLIER -153.78 -35.14 0.1 Allowed 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -178.159 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.705 HD23 HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.97 -23.29 63.48 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.584 -0.697 . . . . 0.0 110.108 178.394 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.705 HD13 HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -71.47 -38.09 71.27 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 105.849 -1.908 . . . . 0.0 105.849 178.689 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.599 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -72.92 -30.9 64.26 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 175.898 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.638 ' HA ' ' HD3' ' A' ' 12' ' ' LYS 0.262 0.1 OUTLIER -94.68 18.52 11.44 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 176.369 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.658 ' HB ' ' O ' ' A' ' 7' ' ' LEU . 1.2 t -94.62 -31.64 4.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 C-N-CA 119.256 -0.978 . . . . 0.0 109.775 -176.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.475 HD11 HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -54.03 -37.02 63.66 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 177.086 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.638 ' HD3' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -98.73 -13.87 20.02 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.06 176.543 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 51.32 84.48 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 123.197 0.599 . . . . 0.0 111.633 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 119.665 -1.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.767 ' HA ' ' CG2' ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.494 1.762 0 N-CA-C 111.168 0.062 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.708 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -156.34 5.35 0.17 Allowed 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 178.637 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.708 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 5.7 p90 166.53 -23.72 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.635 ' HG2' ' NE1' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -109.51 6.1 23.8 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 176.714 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.767 ' CG2' ' HA ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -165.9 -36.26 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 -177.284 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.669 HD23 HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -57.54 -21.67 39.73 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.778 -0.576 . . . . 0.0 110.236 178.434 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.692 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -74.37 -38.25 63.23 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 178.813 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.553 ' HE2' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -72.76 -32.61 65.76 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 105.755 -1.943 . . . . 0.0 105.755 175.64 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.662 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -88.21 8.94 24.71 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.413 176.008 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.661 ' HB ' ' O ' ' A' ' 7' ' ' LEU . 1.1 t -88.92 -28.25 5.27 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.973 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -178.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.481 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 3.6 mp -50.43 -36.61 33.92 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 177.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.428 ' HE2' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -100.8 -19.03 16.16 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 176.566 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.35 93.5 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.049 0.54 . . . . 0.0 111.882 178.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.269 0 O-C-N 119.799 -1.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.634 ' HA ' ' CG2' ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 111.423 0.157 . . . . 0.0 111.423 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.763 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -156.44 8.32 0.21 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.375 -1.453 . . . . 0.0 114.143 178.378 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.763 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 5.4 p90 164.36 -25.76 0.0 OUTLIER 'General case' 0 C--N 1.285 -2.206 0 CA-C-O 122.241 1.02 . . . . 0.0 108.293 177.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.634 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -104.18 -1.9 26.54 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 177.655 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.634 ' CG2' ' HA ' ' A' ' 1' ' ' ALA . 0.3 OUTLIER -158.7 -40.28 0.06 Allowed 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -177.758 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.699 ' O ' ' N ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -46.98 -26.92 1.11 Allowed 'General case' 0 C--O 1.189 -2.129 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.649 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.677 ' CD2' ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -68.7 -40.32 80.09 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 179.671 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.551 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -73.38 -29.52 62.67 Favored 'General case' 0 C--N 1.285 -2.197 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 176.562 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.581 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.255 0.0 OUTLIER -95.44 16.21 17.56 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.017 -0.992 . . . . 0.0 108.426 176.791 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.699 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -96.45 -39.77 9.71 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.181 0 C-N-CA 118.852 -1.139 . . . . 0.0 108.636 -177.297 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.551 ' CD1' ' O ' ' A' ' 8' ' ' LYS . 1.7 mp -44.45 -30.73 0.91 Allowed 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 178.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.464 ' HE3' ' HA ' ' A' ' 9' ' ' LYS . 11.2 ptpt -103.79 -24.29 13.33 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 176.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 10' ' ' VAL 0.268 . . 65.33 134.37 0.02 OUTLIER 'General case' 1 C--O 0.974 -13.403 1 CA-C-O 131.428 5.394 . . . . 0.0 104.214 177.181 . . . . . . . . 5 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.269 1 O-C-N 65.765 -35.585 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.785 ' HA ' ' CG2' ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.495 1.779 0 N-CA-C 111.058 0.021 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.714 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -155.63 5.23 0.2 Allowed 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 178.736 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.714 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 6.0 p90 166.22 -23.71 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.636 ' HG2' ' NE1' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -109.48 6.87 24.51 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 176.821 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.785 ' CG2' ' HA ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -166.9 -35.59 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 -177.138 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.688 HD23 HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -58.01 -20.44 38.57 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.922 -0.487 . . . . 0.0 110.284 178.38 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.688 HD11 HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -76.44 -37.0 57.63 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 105.974 -1.861 . . . . 0.0 105.974 178.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.566 ' HE2' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.55 -30.04 61.6 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 175.68 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.597 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.254 0.0 OUTLIER -91.14 3.94 53.48 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.609 176.43 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.643 ' HB ' ' O ' ' A' ' 7' ' ' LEU . 1.2 t -77.8 -34.5 19.89 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.06 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -177.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -38.73 54.93 Favored 'General case' 0 N--CA 1.502 2.135 0 N-CA-C 106.333 -1.728 . . . . 0.0 106.333 177.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 13' ' ' ALA . 2.7 mtmp? -114.88 31.37 6.72 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 176.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . . . 19.98 -91.86 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.274 0 C-N-CA 124.414 1.086 . . . . 0.0 112.588 -178.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.222 0 O-C-N 119.328 -2.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.734 ' HA ' ' CG2' ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.493 1.677 0 N-CA-C 111.13 0.048 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.687 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -154.75 0.48 0.18 Allowed 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 178.82 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.687 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 5.1 p90 173.42 -24.09 0.0 OUTLIER 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 118.701 0.682 . . . . 0.0 109.889 178.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.649 ' HG2' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -113.15 2.21 15.55 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 176.287 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.734 ' CG2' ' HA ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -154.09 -35.93 0.1 Allowed 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -178.532 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.668 ' CB ' ' CA ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -59.27 -22.2 60.79 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.617 -0.677 . . . . 0.0 110.114 178.154 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.667 HD12 HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -73.42 -37.17 65.99 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 178.908 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.476 ' HE2' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.34 -31.25 63.85 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 175.634 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.658 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.258 0.1 OUTLIER -92.31 13.47 19.24 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.199 176.378 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.658 ' HB ' ' O ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -90.14 -34.74 6.79 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 C-N-CA 119.56 -0.856 . . . . 0.0 108.811 -177.528 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.51 -39.15 33.02 Favored 'General case' 0 N--CA 1.502 2.145 0 N-CA-C 106.59 -1.634 . . . . 0.0 106.59 177.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -94.06 -23.48 17.98 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 176.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 62.26 155.61 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.379 0.672 . . . . 0.0 112.09 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.823 -1.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.972 HD22 ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 1.055 ' HA ' HD11 ' A' ' 7' ' ' LEU . 4.1 p90 177.26 -24.71 0.0 OUTLIER 'General case' 0 C--N 1.276 -2.622 0 C-N-CA 118.851 -1.14 . . . . 0.0 110.307 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.757 ' N ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -110.85 -4.3 15.3 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 176.662 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.576 ' N ' ' CD2' ' A' ' 7' ' ' LEU 0.256 0.0 OUTLIER -144.83 -35.52 0.33 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -179.387 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 1.146 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -60.17 -12.52 8.84 Favored 'General case' 0 C--O 1.188 -2.175 0 O-C-N 121.622 -0.674 . . . . 0.0 109.446 178.003 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.146 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -83.82 -35.39 24.28 Favored 'General case' 0 C--N 1.289 -2.041 0 N-CA-C 105.797 -1.927 . . . . 0.0 105.797 178.795 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.708 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -77.77 -31.29 51.88 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 176.477 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.597 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -85.36 -21.68 28.77 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.519 176.868 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -48.7 -36.45 7.58 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.521 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 1.7 mp -48.26 -37.75 16.95 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 177.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 9' ' ' LYS . 4.5 mtmt -114.77 28.08 8.97 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 176.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . . . . . . . . 2 C--O 1.082 -7.746 1 N-CA-C 122.307 4.188 . . . . 0.0 122.307 179.593 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.961 HD22 ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.986 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 1.116 ' HA ' HD11 ' A' ' 7' ' ' LEU . 5.2 p90 173.12 -23.81 0.0 OUTLIER 'General case' 0 C--N 1.288 -2.085 0 CA-C-N 118.747 0.703 . . . . 0.0 109.91 178.496 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.612 ' HG2' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -112.33 0.68 15.76 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 176.254 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.612 HG22 ' HG2' ' A' ' 4' ' ' LYS 0.254 0.0 OUTLIER -153.66 -35.04 0.11 Allowed 'General case' 0 N--CA 1.498 1.953 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.279 -177.982 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 1.146 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -60.43 -21.77 62.65 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.622 -0.674 . . . . 0.0 110.326 178.329 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.146 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -73.22 -37.32 66.47 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 105.756 -1.942 . . . . 0.0 105.756 178.76 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.745 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.03 -31.35 62.86 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 175.526 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.735 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.264 0.0 OUTLIER -93.1 16.95 11.72 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 115.065 -0.97 . . . . 0.0 108.803 176.458 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -91.49 -31.28 4.89 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.902 0 C-N-CA 119.029 -1.068 . . . . 0.0 109.478 -176.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.662 HD13 HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -54.78 -36.67 65.14 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 177.389 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -96.33 -21.22 17.94 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 176.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.335 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.975 HD23 ' CD2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.911 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 1.097 ' HA ' HD11 ' A' ' 7' ' ' LEU . 4.8 p90 170.09 -24.88 0.0 OUTLIER 'General case' 0 C--N 1.282 -2.33 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.677 ' N ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -109.61 -2.78 17.31 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 177.056 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.569 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -149.52 -40.57 0.14 Allowed 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -179.258 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 1.161 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -50.17 -23.8 2.41 Favored 'General case' 0 C--O 1.182 -2.482 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.026 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.161 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -72.35 -38.0 68.69 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 178.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.708 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -75.48 -31.35 60.19 Favored 'General case' 0 C--N 1.286 -2.157 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 176.122 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.648 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.252 0.0 OUTLIER -92.42 14.21 17.27 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 114.945 -1.025 . . . . 0.0 108.73 176.534 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -89.2 -36.6 8.95 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.309 0 C-N-CA 118.619 -1.232 . . . . 0.0 108.892 -176.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.719 HD22 ' H ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -48.3 -35.39 12.18 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 177.376 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 9' ' ' LYS . 13.1 ptpt -96.59 -24.46 16.02 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 176.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . . . . . . 0 C--O 1.172 -2.996 0 N-CA-C 119.413 3.116 . . . . 0.0 119.413 178.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.95 HD23 ' CD2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.004 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 1.048 ' HA ' HD11 ' A' ' 7' ' ' LEU . 4.9 p90 171.07 -24.56 0.0 OUTLIER 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 118.276 0.489 . . . . 0.0 109.747 178.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.717 ' N ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -110.39 -4.97 15.32 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 177.141 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.569 ' OG1' ' CE ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -146.45 -38.31 0.23 Allowed 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -179.106 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 1.176 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -56.39 -13.17 2.04 Favored 'General case' 0 C--O 1.188 -2.171 0 O-C-N 122.004 -0.435 . . . . 0.0 110.061 177.857 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.176 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -84.45 -36.51 22.27 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 178.78 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.729 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -77.86 -29.86 50.62 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 175.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.6 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -87.06 -19.54 28.45 Favored 'General case' 0 C--O 1.193 -1.877 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 176.747 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -49.17 -42.8 15.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -178.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.645 HD21 ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -47.18 -35.85 7.92 Favored 'General case' 0 N--CA 1.507 2.394 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 176.875 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.1 mtmt -121.87 32.76 5.72 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 124.037 1.875 . . . . 0.0 110.31 177.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 9' ' ' LYS . . . . . . . . 1 C--O 1.358 6.797 1 N-CA-C 127.249 6.018 . . . . 0.0 127.249 178.098 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.947 HD22 ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 1.082 ' HA ' HD11 ' A' ' 7' ' ' LEU . 4.9 p90 173.8 -23.8 0.0 OUTLIER 'General case' 0 C--N 1.289 -2.047 0 CA-C-N 118.777 0.717 . . . . 0.0 110.064 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.619 ' N ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -111.6 -1.36 15.79 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 176.352 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.596 HG22 ' HG2' ' A' ' 4' ' ' LYS 0.254 0.0 OUTLIER -150.93 -35.7 0.14 Allowed 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 -178.162 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 1.135 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -61.22 -13.49 18.71 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.626 -0.671 . . . . 0.0 110.521 178.15 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.135 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -82.96 -36.48 25.11 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 178.706 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.766 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -76.14 -28.98 57.62 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 175.562 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.694 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -90.06 -6.6 55.34 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.47 176.793 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -64.29 -34.15 67.25 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.936 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.466 ' CD2' ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -53.4 -37.65 62.7 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 177.503 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 13' ' ' ALA . 8.6 mtmt -112.38 31.11 6.54 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 176.28 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.49 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . . . . . . . . 0 N--CA 1.505 2.311 0 C-N-CA 124.585 1.154 . . . . 0.0 112.785 -177.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.963 HD22 ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.84 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.999 ' HA ' HD11 ' A' ' 7' ' ' LEU . 5.8 p90 166.53 -23.82 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 121.883 0.849 . . . . 0.0 108.798 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.687 ' HG3' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -109.55 6.43 23.99 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 176.762 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.687 HG22 ' HG3' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -166.21 -35.98 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -177.261 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 1.044 HD23 HD13 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -57.65 -23.42 51.2 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.732 -0.605 . . . . 0.0 110.243 178.479 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.044 HD13 HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -72.35 -38.13 68.66 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 105.769 -1.937 . . . . 0.0 105.769 178.641 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.764 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.3 -31.25 63.92 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 175.731 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.713 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.26 0.0 OUTLIER -92.11 16.75 10.65 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.144 -0.934 . . . . 0.0 108.915 176.137 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -93.83 -31.36 4.47 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 C-N-CA 119.161 -1.016 . . . . 0.0 109.373 -177.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.588 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -52.94 -37.12 60.65 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 177.297 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 6.9 ptpt -94.44 -23.0 17.92 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 176.213 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 12' ' ' LYS . . . . . . . . 0 N--CA 1.49 1.529 0 C-N-CA 123.204 0.602 . . . . 0.0 111.793 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.945 HD22 ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 1.1 ' HA ' HD11 ' A' ' 7' ' ' LEU . 4.2 p90 176.09 -25.4 0.0 OUTLIER 'General case' 0 C--N 1.281 -2.382 0 C-N-CA 119.52 -0.872 . . . . 0.0 110.255 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.696 ' N ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -109.1 -4.13 16.83 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 176.924 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.558 ' N ' ' CD2' ' A' ' 7' ' ' LEU 0.26 0.0 OUTLIER -147.71 -37.01 0.2 Allowed 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.131 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 1.159 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -55.22 -20.74 11.59 Favored 'General case' 0 C--O 1.18 -2.57 0 O-C-N 121.813 -0.554 . . . . 0.0 109.539 177.894 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.159 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -74.49 -37.38 63.18 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 106.168 -1.789 . . . . 0.0 106.168 178.456 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.719 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -75.52 -30.23 59.72 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 175.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.607 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.253 0.1 OUTLIER -93.7 8.82 39.5 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.02 176.268 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -81.67 -35.6 13.8 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.914 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.107 -176.808 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.705 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -49.61 -32.54 13.07 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 176.514 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -98.26 -24.56 15.19 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.492 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 9' ' ' LYS 0.317 . . . . . . . 0 C--O 1.299 3.66 0 N-CA-C 104.568 -2.382 . . . . 0.0 104.568 -179.393 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.878 HD22 ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.745 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 1.076 ' HA ' HD11 ' A' ' 7' ' ' LEU . 4.8 p90 172.5 -23.41 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 118.645 0.657 . . . . 0.0 109.829 178.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.634 ' HG2' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -115.27 5.23 14.65 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 176.178 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.634 HG22 ' HG2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -156.54 -35.93 0.08 Allowed 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.611 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 1.197 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.68 -22.16 61.58 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.647 -0.658 . . . . 0.0 110.005 178.023 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.197 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -74.55 -36.98 63.13 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.369 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.692 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.57 -32.77 64.33 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 105.692 -1.966 . . . . 0.0 105.692 175.352 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.697 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -89.19 9.49 25.48 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.39 176.368 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.1 t -87.81 -29.02 5.48 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -177.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.506 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 2.2 mp -50.87 -38.43 49.41 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 177.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.77 -22.85 17.25 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 176.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.564 0 C-N-CA 123.053 0.541 . . . . 0.0 111.88 178.503 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.962 HD22 ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.756 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 1.051 ' HA ' HD11 ' A' ' 7' ' ' LEU . 6.0 p90 166.81 -23.64 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.663 ' HG2' ' NE1' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -110.12 7.76 23.58 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 176.772 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.662 HG22 ' HG3' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -167.24 -35.84 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -177.262 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 1.165 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -58.06 -21.55 46.18 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.853 -0.529 . . . . 0.0 110.36 178.363 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.165 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -74.99 -37.0 61.98 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 178.905 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.736 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.55 -32.98 64.48 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 105.769 -1.937 . . . . 0.0 105.769 175.503 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.709 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -88.44 7.59 32.0 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.667 176.435 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.1 t -84.86 -28.7 6.64 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -178.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.52 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 2.6 mp -52.43 -38.45 59.18 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 177.17 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -98.62 -17.47 18.61 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.606 0 C-N-CA 123.496 0.718 . . . . 0.0 111.956 178.657 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.903 HD22 ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 1.045 ' C ' HD21 ' A' ' 7' ' ' LEU . 4.7 p90 173.51 -23.11 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.96 0 CA-C-N 118.787 0.721 . . . . 0.0 109.916 178.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.677 ' HG2' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -115.51 6.5 14.7 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 176.069 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.677 HG22 ' HG2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -156.94 -36.43 0.08 Allowed 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -178.715 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 1.158 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -61.9 -14.44 34.17 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 121.671 -0.643 . . . . 0.0 110.534 178.051 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.158 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -82.84 -36.45 25.48 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 179.031 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.768 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.89 -33.54 62.06 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 175.32 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.695 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -82.72 -11.67 58.15 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.703 176.645 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -62.51 -29.66 47.35 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -178.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.51 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 1.9 mp -53.54 -36.48 61.87 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -115.98 23.38 12.26 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 176.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . . . . . . . . 0 N--CA 1.497 1.895 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.724 -178.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.966 HD22 ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.851 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 1.092 ' HA ' HD11 ' A' ' 7' ' ' LEU . 4.8 p90 176.47 -24.09 0.0 OUTLIER 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 119.209 0.913 . . . . 0.0 110.311 179.09 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -111.76 0.91 16.4 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 176.312 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.56 HG22 ' HG2' ' A' ' 4' ' ' LYS 0.257 0.1 OUTLIER -153.78 -35.14 0.1 Allowed 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -178.159 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 1.113 HD23 HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.97 -23.29 63.48 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.584 -0.697 . . . . 0.0 110.108 178.394 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.113 HD13 HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -71.47 -38.09 71.27 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 105.849 -1.908 . . . . 0.0 105.849 178.689 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.765 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -72.92 -30.9 64.26 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 175.898 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.691 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.262 0.1 OUTLIER -94.68 18.52 11.44 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 176.369 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -94.62 -31.64 4.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 C-N-CA 119.256 -0.978 . . . . 0.0 109.775 -176.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.651 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -54.03 -37.02 63.66 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 177.086 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.685 ' HD3' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -98.73 -13.87 20.02 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.06 176.543 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.457 ' H ' ' C ' ' A' ' 10' ' ' VAL . . . . . . . . 0 N--CA 1.495 1.815 0 C-N-CA 123.197 0.599 . . . . 0.0 111.633 178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.955 HD22 ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.8 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 1.023 ' HA ' HD11 ' A' ' 7' ' ' LEU . 5.7 p90 166.53 -23.72 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.695 ' HG3' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -109.51 6.1 23.8 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 176.714 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.695 HG22 ' HG3' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -165.9 -36.26 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 -177.284 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 1.031 HD23 HD13 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -57.54 -21.67 39.73 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.778 -0.576 . . . . 0.0 110.236 178.434 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.031 HD13 HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -74.37 -38.25 63.23 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 178.813 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.707 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -72.76 -32.61 65.76 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 105.755 -1.943 . . . . 0.0 105.755 175.64 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.714 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -88.21 8.94 24.71 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.413 176.008 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.1 t -88.92 -28.25 5.27 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.973 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -178.13 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 3.6 mp -50.43 -36.61 33.92 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 177.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.446 ' HE2' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -100.8 -19.03 16.16 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 176.566 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 C-N-CA 123.049 0.54 . . . . 0.0 111.882 178.046 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.988 HD23 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.798 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 1.09 ' HA ' HD11 ' A' ' 7' ' ' LEU . 5.4 p90 164.36 -25.76 0.0 OUTLIER 'General case' 0 C--N 1.285 -2.206 0 CA-C-O 122.241 1.02 . . . . 0.0 108.293 177.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.799 ' HE2' HD21 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -104.18 -1.9 26.54 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 177.655 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.766 HG22 ' HG3' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -158.7 -40.28 0.06 Allowed 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -177.758 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 1.149 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -46.98 -26.92 1.11 Allowed 'General case' 0 C--O 1.189 -2.129 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.649 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.149 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -68.7 -40.32 80.09 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 179.671 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.671 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.38 -29.52 62.67 Favored 'General case' 0 C--N 1.285 -2.197 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 176.562 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.669 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.255 0.0 OUTLIER -95.44 16.21 17.56 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.017 -0.992 . . . . 0.0 108.426 176.791 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.91 HG23 ' HG ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -96.45 -39.77 9.71 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.181 0 C-N-CA 118.852 -1.139 . . . . 0.0 108.636 -177.297 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.61 HD12 ' O ' ' A' ' 8' ' ' LYS . 1.7 mp -44.45 -30.73 0.91 Allowed 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 178.237 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.503 ' HE3' ' HA ' ' A' ' 9' ' ' LYS . 11.2 ptpt -103.79 -24.29 13.33 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 176.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 10' ' ' VAL 0.268 . . . . . . . 1 C--O 0.974 -13.403 1 CA-C-O 131.428 5.394 . . . . 0.0 104.214 177.181 . . . . . . . . 4 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.962 HD22 ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.762 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 1.067 ' HA ' HD11 ' A' ' 7' ' ' LEU . 6.0 p90 166.22 -23.71 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.48 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.699 ' HE3' HG21 ' A' ' 5' ' ' THR . 0.1 OUTLIER -109.48 6.87 24.51 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 176.821 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.699 HG21 ' HE3' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -166.9 -35.59 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 -177.138 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 1.19 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -58.01 -20.44 38.57 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.922 -0.487 . . . . 0.0 110.284 178.38 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.19 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -76.44 -37.0 57.63 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 105.974 -1.861 . . . . 0.0 105.974 178.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.715 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.55 -30.04 61.6 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 175.68 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.655 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.254 0.0 OUTLIER -91.14 3.94 53.48 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.609 176.43 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -77.8 -34.5 19.89 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.06 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -177.452 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.483 ' CD2' ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.4 -38.73 54.93 Favored 'General case' 0 N--CA 1.502 2.135 0 N-CA-C 106.333 -1.728 . . . . 0.0 106.333 177.278 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 13' ' ' ALA . 2.7 mtmp? -114.88 31.37 6.72 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 176.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.484 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . . . . . . . . 0 N--CA 1.504 2.274 0 C-N-CA 124.414 1.086 . . . . 0.0 112.588 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.949 HD22 ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.94 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 1.121 ' HA ' HD11 ' A' ' 7' ' ' LEU . 5.1 p90 173.42 -24.09 0.0 OUTLIER 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 118.701 0.682 . . . . 0.0 109.889 178.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.582 ' HG2' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -113.15 2.21 15.55 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 176.287 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.582 HG22 ' HG2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -154.09 -35.93 0.1 Allowed 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -178.532 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 1.151 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.27 -22.2 60.79 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.617 -0.677 . . . . 0.0 110.114 178.154 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.151 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -73.42 -37.17 65.99 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 178.908 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.72 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.34 -31.25 63.85 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 175.634 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.723 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.258 0.1 OUTLIER -92.31 13.47 19.24 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.199 176.378 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -90.14 -34.74 6.79 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 C-N-CA 119.56 -0.856 . . . . 0.0 108.811 -177.528 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.472 ' CD2' ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.51 -39.15 33.02 Favored 'General case' 0 N--CA 1.502 2.145 0 N-CA-C 106.59 -1.634 . . . . 0.0 106.59 177.539 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.444 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 18.8 ptpt -94.06 -23.48 17.98 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 176.078 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 12' ' ' LYS . . . . . . . . 0 N--CA 1.488 1.452 0 C-N-CA 123.379 0.672 . . . . 0.0 112.09 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 1.062 ' C ' HD13 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 1.062 HD13 ' C ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -157.43 1.37 0.12 Allowed 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -178.517 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.055 ' HA ' HD11 ' A' ' 7' ' ' LEU . 4.1 p90 177.26 -24.71 0.0 OUTLIER 'General case' 0 C--N 1.276 -2.622 0 C-N-CA 118.851 -1.14 . . . . 0.0 110.307 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.757 ' N ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -110.85 -4.3 15.3 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 176.662 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.657 ' CG2' ' HA ' ' A' ' 1' ' ' ALA 0.256 0.0 OUTLIER -144.83 -35.52 0.33 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -179.387 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.146 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -60.17 -12.52 8.84 Favored 'General case' 0 C--O 1.188 -2.175 0 O-C-N 121.622 -0.674 . . . . 0.0 109.446 178.003 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.146 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -83.82 -35.39 24.28 Favored 'General case' 0 C--N 1.289 -2.041 0 N-CA-C 105.797 -1.927 . . . . 0.0 105.797 178.795 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.708 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -77.77 -31.29 51.88 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 176.477 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.597 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -85.36 -21.68 28.77 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.519 176.868 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -48.7 -36.45 7.58 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.521 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 1.7 mp -48.26 -37.75 16.95 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 177.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 9' ' ' LYS . 4.5 mtmt -114.77 28.08 8.97 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 176.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . . . 17.87 133.45 0.0 OUTLIER 'General case' 2 C--O 1.082 -7.746 1 N-CA-C 122.307 4.188 . . . . 0.0 122.307 179.593 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.129 -8.986 1 O-C-N 110.303 -7.748 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.97 ' HA ' HG23 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 119.96 -0.067 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.961 HD22 ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -154.72 1.44 0.19 Allowed 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 178.864 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.116 ' HA ' HD11 ' A' ' 7' ' ' LEU . 5.2 p90 173.12 -23.81 0.0 OUTLIER 'General case' 0 C--N 1.288 -2.085 0 CA-C-N 118.747 0.703 . . . . 0.0 109.91 178.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.612 ' HG2' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -112.33 0.68 15.76 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 176.254 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.97 HG23 ' HA ' ' A' ' 1' ' ' ALA 0.254 0.0 OUTLIER -153.66 -35.04 0.11 Allowed 'General case' 0 N--CA 1.498 1.953 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.279 -177.982 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.146 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -60.43 -21.77 62.65 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.622 -0.674 . . . . 0.0 110.326 178.329 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.146 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -73.22 -37.32 66.47 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 105.756 -1.942 . . . . 0.0 105.756 178.76 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.745 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.03 -31.35 62.86 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 175.526 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.735 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.264 0.0 OUTLIER -93.1 16.95 11.72 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 115.065 -0.97 . . . . 0.0 108.803 176.458 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -91.49 -31.28 4.89 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.902 0 C-N-CA 119.029 -1.068 . . . . 0.0 109.478 -176.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.662 HD13 HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -54.78 -36.67 65.14 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 177.389 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -96.33 -21.22 17.94 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 176.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 58.14 9.38 0.96 Allowed 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.143 0 O-C-N 119.155 -2.216 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.979 ' C ' HD13 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 111.676 0.251 . . . . 0.0 111.676 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.979 HD13 ' C ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -154.71 4.28 0.23 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.162 -1.586 . . . . 0.0 114.316 178.585 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.097 ' HA ' HD11 ' A' ' 7' ' ' LEU . 4.8 p90 170.09 -24.88 0.0 OUTLIER 'General case' 0 C--N 1.282 -2.33 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.677 ' N ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -109.61 -2.78 17.31 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 177.056 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.704 HG23 ' HA ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -149.52 -40.57 0.14 Allowed 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -179.258 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.161 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -50.17 -23.8 2.41 Favored 'General case' 0 C--O 1.182 -2.482 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.026 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.161 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -72.35 -38.0 68.69 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 178.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.708 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -75.48 -31.35 60.19 Favored 'General case' 0 C--N 1.286 -2.157 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 176.122 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.648 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.252 0.0 OUTLIER -92.42 14.21 17.27 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 114.945 -1.025 . . . . 0.0 108.73 176.534 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -89.2 -36.6 8.95 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.309 0 C-N-CA 118.619 -1.232 . . . . 0.0 108.892 -176.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.719 HD22 ' H ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -48.3 -35.39 12.18 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 177.376 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 9' ' ' LYS . 13.1 ptpt -96.59 -24.46 16.02 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 176.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . 53.55 122.77 0.0 OUTLIER 'General case' 0 C--O 1.172 -2.996 0 N-CA-C 119.413 3.116 . . . . 0.0 119.413 178.03 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.223 -4.929 1 O-C-N 115.705 -4.372 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.967 ' C ' HD13 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.967 HD13 ' C ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -154.76 3.69 0.22 Allowed 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.321 -1.487 . . . . 0.0 114.951 178.821 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.048 ' HA ' HD11 ' A' ' 7' ' ' LEU . 4.9 p90 171.07 -24.56 0.0 OUTLIER 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 118.276 0.489 . . . . 0.0 109.747 178.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.717 ' N ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -110.39 -4.97 15.32 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 177.141 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.712 HG23 ' HA ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -146.45 -38.31 0.23 Allowed 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -179.106 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.176 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -56.39 -13.17 2.04 Favored 'General case' 0 C--O 1.188 -2.171 0 O-C-N 122.004 -0.435 . . . . 0.0 110.061 177.857 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.176 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -84.45 -36.51 22.27 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 178.78 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.729 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -77.86 -29.86 50.62 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 175.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.6 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -87.06 -19.54 28.45 Favored 'General case' 0 C--O 1.193 -1.877 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 176.747 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -49.17 -42.8 15.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -178.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.645 HD21 ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -47.18 -35.85 7.92 Favored 'General case' 0 N--CA 1.507 2.394 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 176.875 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.1 mtmt -121.87 32.76 5.72 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 124.037 1.875 . . . . 0.0 110.31 177.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 9' ' ' LYS . . . 11.73 83.81 0.01 OUTLIER 'General case' 1 C--O 1.358 6.797 1 N-CA-C 127.249 6.018 . . . . 0.0 127.249 178.098 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.097 1 CA-C-N 98.716 -8.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.915 ' C ' HD13 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.493 1.7 0 N-CA-C 111.24 0.089 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.947 HD22 ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -154.45 0.01 0.19 Allowed 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 178.681 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.082 ' HA ' HD11 ' A' ' 7' ' ' LEU . 4.9 p90 173.8 -23.8 0.0 OUTLIER 'General case' 0 C--N 1.289 -2.047 0 CA-C-N 118.777 0.717 . . . . 0.0 110.064 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.619 ' N ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -111.6 -1.36 15.79 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 176.352 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.902 HG23 ' HA ' ' A' ' 1' ' ' ALA 0.254 0.0 OUTLIER -150.93 -35.7 0.14 Allowed 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 -178.162 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.135 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -61.22 -13.49 18.71 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.626 -0.671 . . . . 0.0 110.521 178.15 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.135 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -82.96 -36.48 25.11 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 178.706 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.766 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -76.14 -28.98 57.62 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 175.562 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.694 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -90.06 -6.6 55.34 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.47 176.793 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -64.29 -34.15 67.25 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.936 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.466 ' CD2' ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -53.4 -37.65 62.7 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 177.503 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 13' ' ' ALA . 8.6 mtmt -112.38 31.11 6.54 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 176.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.49 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . . . 16.81 91.52 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.311 0 C-N-CA 124.585 1.154 . . . . 0.0 112.785 -177.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.759 -1.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.965 ' HA ' HG23 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.494 1.77 0 N-CA-C 111.18 0.067 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.963 HD22 ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -156.21 5.35 0.18 Allowed 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 178.701 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.999 ' HA ' HD11 ' A' ' 7' ' ' LEU . 5.8 p90 166.53 -23.82 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 121.883 0.849 . . . . 0.0 108.798 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.687 ' HG3' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -109.55 6.43 23.99 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 176.762 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.965 HG23 ' HA ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -166.21 -35.98 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -177.261 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.044 HD23 HD13 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -57.65 -23.42 51.2 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.732 -0.605 . . . . 0.0 110.243 178.479 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.044 HD13 HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -72.35 -38.13 68.66 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 105.769 -1.937 . . . . 0.0 105.769 178.641 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.764 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.3 -31.25 63.92 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 175.731 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.713 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.26 0.0 OUTLIER -92.11 16.75 10.65 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.144 -0.934 . . . . 0.0 108.915 176.137 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -93.83 -31.36 4.47 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 C-N-CA 119.161 -1.016 . . . . 0.0 109.373 -177.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.588 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -52.94 -37.12 60.65 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 177.297 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 6.9 ptpt -94.44 -23.0 17.92 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 176.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 12' ' ' LYS . . . 60.39 112.78 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.204 0.602 . . . . 0.0 111.793 178.218 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.247 0 O-C-N 119.662 -1.899 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 1.042 ' C ' HD13 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.497 1.914 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 1.042 HD13 ' C ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -157.81 1.6 0.11 Allowed 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 -178.412 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.1 ' HA ' HD11 ' A' ' 7' ' ' LEU . 4.2 p90 176.09 -25.4 0.0 OUTLIER 'General case' 0 C--N 1.281 -2.382 0 C-N-CA 119.52 -0.872 . . . . 0.0 110.255 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.696 ' N ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -109.1 -4.13 16.83 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 176.924 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.661 ' CG2' ' HA ' ' A' ' 1' ' ' ALA 0.26 0.0 OUTLIER -147.71 -37.01 0.2 Allowed 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.131 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.159 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -55.22 -20.74 11.59 Favored 'General case' 0 C--O 1.18 -2.57 0 O-C-N 121.813 -0.554 . . . . 0.0 109.539 177.894 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.159 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -74.49 -37.38 63.18 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 106.168 -1.789 . . . . 0.0 106.168 178.456 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.719 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -75.52 -30.23 59.72 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 175.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.607 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.253 0.1 OUTLIER -93.7 8.82 39.5 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.02 176.268 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -81.67 -35.6 13.8 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.914 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.107 -176.808 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.705 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -49.61 -32.54 13.07 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 176.514 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -98.26 -24.56 15.19 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.492 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 9' ' ' LYS 0.317 . . 59.29 153.21 0.02 OUTLIER 'General case' 0 C--O 1.299 3.66 0 N-CA-C 104.568 -2.382 . . . . 0.0 104.568 -179.393 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 1 CA-C-N 105.293 -5.412 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 1.027 ' HA ' HG23 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.495 1.78 0 N-CA-C 111.21 0.078 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.906 HD13 ' C ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -154.49 -3.01 0.17 Allowed 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 178.158 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.076 ' HA ' HD11 ' A' ' 7' ' ' LEU . 4.8 p90 172.5 -23.41 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 118.645 0.657 . . . . 0.0 109.829 178.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.634 ' HG2' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -115.27 5.23 14.65 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 176.178 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 1.027 HG23 ' HA ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -156.54 -35.93 0.08 Allowed 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.611 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.197 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.68 -22.16 61.58 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.647 -0.658 . . . . 0.0 110.005 178.023 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.197 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -74.55 -36.98 63.13 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.369 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.692 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.57 -32.77 64.33 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 105.692 -1.966 . . . . 0.0 105.692 175.352 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.834 ' HE3' ' HB2' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -89.19 9.49 25.48 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.39 176.368 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.1 t -87.81 -29.02 5.48 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -177.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.506 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 2.2 mp -50.87 -38.43 49.41 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 177.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.77 -22.85 17.25 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 176.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 58.87 174.21 0.07 Allowed 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.053 0.541 . . . . 0.0 111.88 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.23 0 O-C-N 119.682 -1.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.95 ' HA ' HG23 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 111.161 0.06 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.962 HD22 ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -155.37 4.79 0.21 Allowed 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 178.664 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.051 ' HA ' HD11 ' A' ' 7' ' ' LEU . 6.0 p90 166.81 -23.64 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.663 ' HG2' ' NE1' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -110.12 7.76 23.58 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 176.772 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.95 HG23 ' HA ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -167.24 -35.84 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -177.262 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.165 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -58.06 -21.55 46.18 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.853 -0.529 . . . . 0.0 110.36 178.363 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.165 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -74.99 -37.0 61.98 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 178.905 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.736 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.55 -32.98 64.48 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 105.769 -1.937 . . . . 0.0 105.769 175.503 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.709 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -88.44 7.59 32.0 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.667 176.435 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.1 t -84.86 -28.7 6.64 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -178.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.52 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 2.6 mp -52.43 -38.45 59.18 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 177.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -98.62 -17.47 18.61 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 58.69 109.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.496 0.718 . . . . 0.0 111.956 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.224 0 O-C-N 119.803 -1.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 1.023 ' HA ' HG23 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 120.177 0.037 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.926 HD13 ' C ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -154.72 -4.32 0.15 Allowed 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 178.039 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.045 ' C ' HD21 ' A' ' 7' ' ' LEU . 4.7 p90 173.51 -23.11 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.96 0 CA-C-N 118.787 0.721 . . . . 0.0 109.916 178.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.677 ' HG2' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -115.51 6.5 14.7 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 176.069 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 1.023 HG23 ' HA ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -156.94 -36.43 0.08 Allowed 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -178.715 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.158 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -61.9 -14.44 34.17 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 121.671 -0.643 . . . . 0.0 110.534 178.051 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.158 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -82.84 -36.45 25.48 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 179.031 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.768 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.89 -33.54 62.06 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 175.32 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.712 ' HE3' ' HB2' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -82.72 -11.67 58.15 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.703 176.645 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -62.51 -29.66 47.35 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -178.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.51 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 1.9 mp -53.54 -36.48 61.87 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -115.98 23.38 12.26 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 176.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . . . 29.09 73.69 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.724 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.189 0 O-C-N 119.757 -1.839 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.974 ' C ' HD13 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.497 1.911 0 N-CA-C 110.669 -0.123 . . . . 0.0 110.669 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.974 HD13 ' C ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -156.25 -0.52 0.13 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.092 ' HA ' HD11 ' A' ' 7' ' ' LEU . 4.8 p90 176.47 -24.09 0.0 OUTLIER 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 119.209 0.913 . . . . 0.0 110.311 179.09 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -111.76 0.91 16.4 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 176.312 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.807 HG23 ' HA ' ' A' ' 1' ' ' ALA 0.257 0.1 OUTLIER -153.78 -35.14 0.1 Allowed 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -178.159 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.113 HD23 HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.97 -23.29 63.48 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.584 -0.697 . . . . 0.0 110.108 178.394 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.113 HD13 HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -71.47 -38.09 71.27 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 105.849 -1.908 . . . . 0.0 105.849 178.689 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.765 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -72.92 -30.9 64.26 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 175.898 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.691 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.262 0.1 OUTLIER -94.68 18.52 11.44 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 176.369 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -94.62 -31.64 4.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 C-N-CA 119.256 -0.978 . . . . 0.0 109.775 -176.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.651 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -54.03 -37.02 63.66 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 177.086 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.685 ' HD3' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -98.73 -13.87 20.02 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.06 176.543 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.457 ' H ' ' C ' ' A' ' 10' ' ' VAL . . . 51.32 84.48 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 123.197 0.599 . . . . 0.0 111.633 178.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 119.665 -1.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.96 ' HA ' HG23 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.494 1.762 0 N-CA-C 111.168 0.062 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.955 HD22 ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -156.34 5.35 0.17 Allowed 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 178.637 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.023 ' HA ' HD11 ' A' ' 7' ' ' LEU . 5.7 p90 166.53 -23.72 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.695 ' HG3' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -109.51 6.1 23.8 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 176.714 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.96 HG23 ' HA ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -165.9 -36.26 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 -177.284 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.031 HD23 HD13 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -57.54 -21.67 39.73 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.778 -0.576 . . . . 0.0 110.236 178.434 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.031 HD13 HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -74.37 -38.25 63.23 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 178.813 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.707 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -72.76 -32.61 65.76 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 105.755 -1.943 . . . . 0.0 105.755 175.64 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.714 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -88.21 8.94 24.71 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.413 176.008 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.1 t -88.92 -28.25 5.27 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.973 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -178.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 3.6 mp -50.43 -36.61 33.92 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 177.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.446 ' HE2' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -100.8 -19.03 16.16 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 176.566 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.35 93.5 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.049 0.54 . . . . 0.0 111.882 178.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.269 0 O-C-N 119.799 -1.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.962 ' C ' HD13 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 111.423 0.157 . . . . 0.0 111.423 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.988 HD23 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -156.44 8.32 0.21 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.375 -1.453 . . . . 0.0 114.143 178.378 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.09 ' HA ' HD11 ' A' ' 7' ' ' LEU . 5.4 p90 164.36 -25.76 0.0 OUTLIER 'General case' 0 C--N 1.285 -2.206 0 CA-C-O 122.241 1.02 . . . . 0.0 108.293 177.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.799 ' HE2' HD21 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -104.18 -1.9 26.54 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 177.655 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.785 HG23 ' HA ' ' A' ' 1' ' ' ALA . 0.3 OUTLIER -158.7 -40.28 0.06 Allowed 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -177.758 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.149 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -46.98 -26.92 1.11 Allowed 'General case' 0 C--O 1.189 -2.129 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.649 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.149 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -68.7 -40.32 80.09 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 179.671 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.671 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.38 -29.52 62.67 Favored 'General case' 0 C--N 1.285 -2.197 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 176.562 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.669 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.255 0.0 OUTLIER -95.44 16.21 17.56 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.017 -0.992 . . . . 0.0 108.426 176.791 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.91 HG23 ' HG ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -96.45 -39.77 9.71 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.181 0 C-N-CA 118.852 -1.139 . . . . 0.0 108.636 -177.297 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.61 HD12 ' O ' ' A' ' 8' ' ' LYS . 1.7 mp -44.45 -30.73 0.91 Allowed 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 178.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.503 ' HE3' ' HA ' ' A' ' 9' ' ' LYS . 11.2 ptpt -103.79 -24.29 13.33 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 176.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 10' ' ' VAL 0.268 . . 65.33 134.37 0.02 OUTLIER 'General case' 1 C--O 0.974 -13.403 1 CA-C-O 131.428 5.394 . . . . 0.0 104.214 177.181 . . . . . . . . 5 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.269 1 O-C-N 65.765 -35.585 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.953 ' HA ' HG23 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.495 1.779 0 N-CA-C 111.058 0.021 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.962 HD22 ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -155.63 5.23 0.2 Allowed 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 178.736 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.067 ' HA ' HD11 ' A' ' 7' ' ' LEU . 6.0 p90 166.22 -23.71 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.48 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.699 ' HE3' HG21 ' A' ' 5' ' ' THR . 0.1 OUTLIER -109.48 6.87 24.51 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 176.821 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.953 HG23 ' HA ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -166.9 -35.59 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 -177.138 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.19 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -58.01 -20.44 38.57 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.922 -0.487 . . . . 0.0 110.284 178.38 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.19 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -76.44 -37.0 57.63 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 105.974 -1.861 . . . . 0.0 105.974 178.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.715 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.55 -30.04 61.6 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 175.68 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.655 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.254 0.0 OUTLIER -91.14 3.94 53.48 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.609 176.43 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -77.8 -34.5 19.89 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.06 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -177.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.483 ' CD2' ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.4 -38.73 54.93 Favored 'General case' 0 N--CA 1.502 2.135 0 N-CA-C 106.333 -1.728 . . . . 0.0 106.333 177.278 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 13' ' ' ALA . 2.7 mtmp? -114.88 31.37 6.72 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 176.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.484 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . . . 19.98 -91.86 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.274 0 C-N-CA 124.414 1.086 . . . . 0.0 112.588 -178.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.222 0 O-C-N 119.328 -2.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.948 ' HA ' HG23 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.493 1.677 0 N-CA-C 111.13 0.048 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.949 HD22 ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -154.75 0.48 0.18 Allowed 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 178.82 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.121 ' HA ' HD11 ' A' ' 7' ' ' LEU . 5.1 p90 173.42 -24.09 0.0 OUTLIER 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 118.701 0.682 . . . . 0.0 109.889 178.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.582 ' HG2' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -113.15 2.21 15.55 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 176.287 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.948 HG23 ' HA ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -154.09 -35.93 0.1 Allowed 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -178.532 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.151 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.27 -22.2 60.79 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.617 -0.677 . . . . 0.0 110.114 178.154 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.151 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -73.42 -37.17 65.99 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 178.908 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.72 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.34 -31.25 63.85 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 175.634 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.723 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.258 0.1 OUTLIER -92.31 13.47 19.24 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.199 176.378 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -90.14 -34.74 6.79 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 C-N-CA 119.56 -0.856 . . . . 0.0 108.811 -177.528 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.472 ' CD2' ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.51 -39.15 33.02 Favored 'General case' 0 N--CA 1.502 2.145 0 N-CA-C 106.59 -1.634 . . . . 0.0 106.59 177.539 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.444 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 18.8 ptpt -94.06 -23.48 17.98 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 176.078 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 12' ' ' LYS . . . 62.26 155.61 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.379 0.672 . . . . 0.0 112.09 178.35 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.823 -1.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.972 ' N ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 1.055 ' HA ' HD11 ' A' ' 7' ' ' LEU . 4.1 p90 177.26 -24.71 0.0 OUTLIER 'General case' 0 C--N 1.276 -2.622 0 C-N-CA 118.851 -1.14 . . . . 0.0 110.307 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.757 ' N ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -110.85 -4.3 15.3 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 176.662 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.576 ' N ' ' CD2' ' A' ' 7' ' ' LEU 0.256 0.0 OUTLIER -144.83 -35.52 0.33 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -179.387 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 1.146 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -60.17 -12.52 8.84 Favored 'General case' 0 C--O 1.188 -2.175 0 O-C-N 121.622 -0.674 . . . . 0.0 109.446 178.003 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.146 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -83.82 -35.39 24.28 Favored 'General case' 0 C--N 1.289 -2.041 0 N-CA-C 105.797 -1.927 . . . . 0.0 105.797 178.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.708 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -77.77 -31.29 51.88 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 176.477 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.597 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -85.36 -21.68 28.77 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.519 176.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -48.7 -36.45 7.58 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.521 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.573 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 1.7 mp -48.26 -37.75 16.95 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 177.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 9' ' ' LYS . 4.5 mtmt -114.77 28.08 8.97 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 176.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . . . . . . . . 2 C--O 1.082 -7.746 1 N-CA-C 122.307 4.188 . . . . 0.0 122.307 179.593 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.961 ' N ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.986 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 1.116 ' HA ' HD11 ' A' ' 7' ' ' LEU . 5.2 p90 173.12 -23.81 0.0 OUTLIER 'General case' 0 C--N 1.288 -2.085 0 CA-C-N 118.747 0.703 . . . . 0.0 109.91 178.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.612 ' HG2' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -112.33 0.68 15.76 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 176.254 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.612 HG22 ' HG2' ' A' ' 4' ' ' LYS 0.254 0.0 OUTLIER -153.66 -35.04 0.11 Allowed 'General case' 0 N--CA 1.498 1.953 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.279 -177.982 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 1.146 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -60.43 -21.77 62.65 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.622 -0.674 . . . . 0.0 110.326 178.329 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.146 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -73.22 -37.32 66.47 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 105.756 -1.942 . . . . 0.0 105.756 178.76 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.745 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.03 -31.35 62.86 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 175.526 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.735 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.264 0.0 OUTLIER -93.1 16.95 11.72 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 115.065 -0.97 . . . . 0.0 108.803 176.458 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -91.49 -31.28 4.89 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.902 0 C-N-CA 119.029 -1.068 . . . . 0.0 109.478 -176.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.662 HD13 HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -54.78 -36.67 65.14 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 177.389 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -96.33 -21.22 17.94 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 176.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.335 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.975 HD23 ' CD2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.911 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 1.097 ' HA ' HD11 ' A' ' 7' ' ' LEU . 4.8 p90 170.09 -24.88 0.0 OUTLIER 'General case' 0 C--N 1.282 -2.33 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.677 ' N ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -109.61 -2.78 17.31 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 177.056 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.569 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -149.52 -40.57 0.14 Allowed 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -179.258 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 1.161 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -50.17 -23.8 2.41 Favored 'General case' 0 C--O 1.182 -2.482 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.026 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.161 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -72.35 -38.0 68.69 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 178.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.708 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -75.48 -31.35 60.19 Favored 'General case' 0 C--N 1.286 -2.157 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 176.122 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.648 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.252 0.0 OUTLIER -92.42 14.21 17.27 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 114.945 -1.025 . . . . 0.0 108.73 176.534 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -89.2 -36.6 8.95 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.309 0 C-N-CA 118.619 -1.232 . . . . 0.0 108.892 -176.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.719 ' H ' HD22 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -48.3 -35.39 12.18 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 177.376 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 9' ' ' LYS . 13.1 ptpt -96.59 -24.46 16.02 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 176.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . . . . . . 0 C--O 1.172 -2.996 0 N-CA-C 119.413 3.116 . . . . 0.0 119.413 178.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.95 HD23 ' CD2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.004 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 1.048 ' HA ' HD11 ' A' ' 7' ' ' LEU . 4.9 p90 171.07 -24.56 0.0 OUTLIER 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 118.276 0.489 . . . . 0.0 109.747 178.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.717 ' N ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -110.39 -4.97 15.32 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 177.141 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.569 ' OG1' ' CE ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -146.45 -38.31 0.23 Allowed 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -179.106 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 1.176 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -56.39 -13.17 2.04 Favored 'General case' 0 C--O 1.188 -2.171 0 O-C-N 122.004 -0.435 . . . . 0.0 110.061 177.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.176 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -84.45 -36.51 22.27 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 178.78 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.729 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -77.86 -29.86 50.62 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 175.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.6 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -87.06 -19.54 28.45 Favored 'General case' 0 C--O 1.193 -1.877 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 176.747 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -49.17 -42.8 15.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -178.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.645 HD21 ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -47.18 -35.85 7.92 Favored 'General case' 0 N--CA 1.507 2.394 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 176.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.1 mtmt -121.87 32.76 5.72 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 124.037 1.875 . . . . 0.0 110.31 177.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 9' ' ' LYS . . . . . . . . 1 C--O 1.358 6.797 1 N-CA-C 127.249 6.018 . . . . 0.0 127.249 178.098 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.947 ' N ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 1.082 ' HA ' HD11 ' A' ' 7' ' ' LEU . 4.9 p90 173.8 -23.8 0.0 OUTLIER 'General case' 0 C--N 1.289 -2.047 0 CA-C-N 118.777 0.717 . . . . 0.0 110.064 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.619 ' N ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -111.6 -1.36 15.79 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 176.352 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.596 HG22 ' HG2' ' A' ' 4' ' ' LYS 0.254 0.0 OUTLIER -150.93 -35.7 0.14 Allowed 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 -178.162 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 1.135 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -61.22 -13.49 18.71 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.626 -0.671 . . . . 0.0 110.521 178.15 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.135 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -82.96 -36.48 25.11 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 178.706 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.766 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -76.14 -28.98 57.62 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 175.562 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.694 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -90.06 -6.6 55.34 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.47 176.793 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -64.29 -34.15 67.25 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.936 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.466 ' CD2' ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -53.4 -37.65 62.7 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 177.503 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 13' ' ' ALA . 8.6 mtmt -112.38 31.11 6.54 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 176.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.49 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . . . . . . . . 0 N--CA 1.505 2.311 0 C-N-CA 124.585 1.154 . . . . 0.0 112.785 -177.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.963 ' N ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.84 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.999 ' HA ' HD11 ' A' ' 7' ' ' LEU . 5.8 p90 166.53 -23.82 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 121.883 0.849 . . . . 0.0 108.798 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.687 ' HG3' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -109.55 6.43 23.99 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 176.762 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.687 HG22 ' HG3' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -166.21 -35.98 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -177.261 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 1.044 HD23 HD13 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -57.65 -23.42 51.2 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.732 -0.605 . . . . 0.0 110.243 178.479 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.044 HD13 HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -72.35 -38.13 68.66 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 105.769 -1.937 . . . . 0.0 105.769 178.641 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.764 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.3 -31.25 63.92 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 175.731 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.713 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.26 0.0 OUTLIER -92.11 16.75 10.65 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.144 -0.934 . . . . 0.0 108.915 176.137 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -93.83 -31.36 4.47 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 C-N-CA 119.161 -1.016 . . . . 0.0 109.373 -177.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.588 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -52.94 -37.12 60.65 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 177.297 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 6.9 ptpt -94.44 -23.0 17.92 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 176.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 12' ' ' LYS . . . . . . . . 0 N--CA 1.49 1.529 0 C-N-CA 123.204 0.602 . . . . 0.0 111.793 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.945 ' N ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 1.1 ' HA ' HD11 ' A' ' 7' ' ' LEU . 4.2 p90 176.09 -25.4 0.0 OUTLIER 'General case' 0 C--N 1.281 -2.382 0 C-N-CA 119.52 -0.872 . . . . 0.0 110.255 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.696 ' N ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -109.1 -4.13 16.83 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 176.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.558 ' N ' ' CD2' ' A' ' 7' ' ' LEU 0.26 0.0 OUTLIER -147.71 -37.01 0.2 Allowed 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.131 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 1.159 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -55.22 -20.74 11.59 Favored 'General case' 0 C--O 1.18 -2.57 0 O-C-N 121.813 -0.554 . . . . 0.0 109.539 177.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.159 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -74.49 -37.38 63.18 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 106.168 -1.789 . . . . 0.0 106.168 178.456 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.719 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -75.52 -30.23 59.72 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 175.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.607 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.253 0.1 OUTLIER -93.7 8.82 39.5 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.02 176.268 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -81.67 -35.6 13.8 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.914 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.107 -176.808 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.705 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -49.61 -32.54 13.07 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 176.514 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -98.26 -24.56 15.19 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.492 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 9' ' ' LYS 0.317 . . . . . . . 0 C--O 1.299 3.66 0 N-CA-C 104.568 -2.382 . . . . 0.0 104.568 -179.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.878 ' N ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.745 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 1.076 ' HA ' HD11 ' A' ' 7' ' ' LEU . 4.8 p90 172.5 -23.41 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 118.645 0.657 . . . . 0.0 109.829 178.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.634 ' HG2' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -115.27 5.23 14.65 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 176.178 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.634 HG22 ' HG2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -156.54 -35.93 0.08 Allowed 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.611 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 1.197 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.68 -22.16 61.58 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.647 -0.658 . . . . 0.0 110.005 178.023 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.197 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -74.55 -36.98 63.13 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.369 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.692 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.57 -32.77 64.33 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 105.692 -1.966 . . . . 0.0 105.692 175.352 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.697 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -89.19 9.49 25.48 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.39 176.368 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.1 t -87.81 -29.02 5.48 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -177.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.506 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 2.2 mp -50.87 -38.43 49.41 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 177.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.77 -22.85 17.25 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 176.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.564 0 C-N-CA 123.053 0.541 . . . . 0.0 111.88 178.503 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.962 ' N ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.756 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 1.051 ' HA ' HD11 ' A' ' 7' ' ' LEU . 6.0 p90 166.81 -23.64 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.663 ' HG2' ' NE1' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -110.12 7.76 23.58 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 176.772 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.662 HG22 ' HG3' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -167.24 -35.84 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -177.262 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 1.165 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -58.06 -21.55 46.18 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.853 -0.529 . . . . 0.0 110.36 178.363 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.165 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -74.99 -37.0 61.98 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 178.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.736 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.55 -32.98 64.48 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 105.769 -1.937 . . . . 0.0 105.769 175.503 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.709 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -88.44 7.59 32.0 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.667 176.435 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.1 t -84.86 -28.7 6.64 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -178.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.52 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 2.6 mp -52.43 -38.45 59.18 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 177.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -98.62 -17.47 18.61 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.606 0 C-N-CA 123.496 0.718 . . . . 0.0 111.956 178.657 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.903 ' N ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 1.045 ' C ' HD21 ' A' ' 7' ' ' LEU . 4.7 p90 173.51 -23.11 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.96 0 CA-C-N 118.787 0.721 . . . . 0.0 109.916 178.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.677 ' HG2' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -115.51 6.5 14.7 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 176.069 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.677 HG22 ' HG2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -156.94 -36.43 0.08 Allowed 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -178.715 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 1.158 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -61.9 -14.44 34.17 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 121.671 -0.643 . . . . 0.0 110.534 178.051 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.158 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -82.84 -36.45 25.48 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 179.031 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.768 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.89 -33.54 62.06 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 175.32 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.695 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -82.72 -11.67 58.15 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.703 176.645 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -62.51 -29.66 47.35 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -178.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.51 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 1.9 mp -53.54 -36.48 61.87 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -115.98 23.38 12.26 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 176.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . . . . . . . . 0 N--CA 1.497 1.895 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.724 -178.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.966 ' N ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.851 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 1.092 ' HA ' HD11 ' A' ' 7' ' ' LEU . 4.8 p90 176.47 -24.09 0.0 OUTLIER 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 119.209 0.913 . . . . 0.0 110.311 179.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -111.76 0.91 16.4 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 176.312 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.56 HG22 ' HG2' ' A' ' 4' ' ' LYS 0.257 0.1 OUTLIER -153.78 -35.14 0.1 Allowed 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -178.159 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 1.113 HD23 HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.97 -23.29 63.48 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.584 -0.697 . . . . 0.0 110.108 178.394 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.113 HD13 HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -71.47 -38.09 71.27 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 105.849 -1.908 . . . . 0.0 105.849 178.689 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.765 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -72.92 -30.9 64.26 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 175.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.691 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.262 0.1 OUTLIER -94.68 18.52 11.44 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 176.369 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -94.62 -31.64 4.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 C-N-CA 119.256 -0.978 . . . . 0.0 109.775 -176.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.651 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -54.03 -37.02 63.66 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 177.086 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.685 ' HD3' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -98.73 -13.87 20.02 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.06 176.543 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.457 ' H ' ' C ' ' A' ' 10' ' ' VAL . . . . . . . . 0 N--CA 1.495 1.815 0 C-N-CA 123.197 0.599 . . . . 0.0 111.633 178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.955 ' N ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.8 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 1.023 ' HA ' HD11 ' A' ' 7' ' ' LEU . 5.7 p90 166.53 -23.72 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.695 ' HG3' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -109.51 6.1 23.8 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 176.714 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.695 HG22 ' HG3' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -165.9 -36.26 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 -177.284 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 1.031 HD23 HD13 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -57.54 -21.67 39.73 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.778 -0.576 . . . . 0.0 110.236 178.434 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.031 HD13 HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -74.37 -38.25 63.23 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 178.813 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.707 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -72.76 -32.61 65.76 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 105.755 -1.943 . . . . 0.0 105.755 175.64 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.714 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -88.21 8.94 24.71 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.413 176.008 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.1 t -88.92 -28.25 5.27 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.973 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -178.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.481 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 3.6 mp -50.43 -36.61 33.92 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 177.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.446 ' HE2' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -100.8 -19.03 16.16 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 176.566 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 C-N-CA 123.049 0.54 . . . . 0.0 111.882 178.046 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.988 HD23 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.798 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 1.09 ' HA ' HD11 ' A' ' 7' ' ' LEU . 5.4 p90 164.36 -25.76 0.0 OUTLIER 'General case' 0 C--N 1.285 -2.206 0 CA-C-O 122.241 1.02 . . . . 0.0 108.293 177.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.799 ' HE2' HD21 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -104.18 -1.9 26.54 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 177.655 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.766 HG22 ' HG3' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -158.7 -40.28 0.06 Allowed 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -177.758 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 1.149 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -46.98 -26.92 1.11 Allowed 'General case' 0 C--O 1.189 -2.129 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.649 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.149 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -68.7 -40.32 80.09 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 179.671 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.671 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.38 -29.52 62.67 Favored 'General case' 0 C--N 1.285 -2.197 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 176.562 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.669 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.255 0.0 OUTLIER -95.44 16.21 17.56 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.017 -0.992 . . . . 0.0 108.426 176.791 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.91 HG23 ' HG ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -96.45 -39.77 9.71 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.181 0 C-N-CA 118.852 -1.139 . . . . 0.0 108.636 -177.297 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.61 HD12 ' O ' ' A' ' 8' ' ' LYS . 1.7 mp -44.45 -30.73 0.91 Allowed 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 178.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.503 ' HE3' ' HA ' ' A' ' 9' ' ' LYS . 11.2 ptpt -103.79 -24.29 13.33 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 176.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 10' ' ' VAL 0.268 . . . . . . . 1 C--O 0.974 -13.403 1 CA-C-O 131.428 5.394 . . . . 0.0 104.214 177.181 . . . . . . . . 4 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.962 ' N ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.762 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 1.067 ' HA ' HD11 ' A' ' 7' ' ' LEU . 6.0 p90 166.22 -23.71 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.699 ' HE3' HG21 ' A' ' 5' ' ' THR . 0.1 OUTLIER -109.48 6.87 24.51 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 176.821 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.699 HG21 ' HE3' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -166.9 -35.59 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 -177.138 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 1.19 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -58.01 -20.44 38.57 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.922 -0.487 . . . . 0.0 110.284 178.38 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.19 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -76.44 -37.0 57.63 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 105.974 -1.861 . . . . 0.0 105.974 178.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.715 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.55 -30.04 61.6 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 175.68 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.655 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.254 0.0 OUTLIER -91.14 3.94 53.48 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.609 176.43 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -77.8 -34.5 19.89 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.06 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -177.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.483 ' CD2' ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.4 -38.73 54.93 Favored 'General case' 0 N--CA 1.502 2.135 0 N-CA-C 106.333 -1.728 . . . . 0.0 106.333 177.278 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 13' ' ' ALA . 2.7 mtmp? -114.88 31.37 6.72 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 176.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.484 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . . . . . . . . 0 N--CA 1.504 2.274 0 C-N-CA 124.414 1.086 . . . . 0.0 112.588 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.949 ' N ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.94 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 1.121 ' HA ' HD11 ' A' ' 7' ' ' LEU . 5.1 p90 173.42 -24.09 0.0 OUTLIER 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 118.701 0.682 . . . . 0.0 109.889 178.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.582 ' HG2' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -113.15 2.21 15.55 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 176.287 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.582 HG22 ' HG2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -154.09 -35.93 0.1 Allowed 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -178.532 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 1.151 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.27 -22.2 60.79 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.617 -0.677 . . . . 0.0 110.114 178.154 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.151 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -73.42 -37.17 65.99 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 178.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.72 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.34 -31.25 63.85 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 175.634 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.723 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.258 0.1 OUTLIER -92.31 13.47 19.24 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.199 176.378 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -90.14 -34.74 6.79 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 C-N-CA 119.56 -0.856 . . . . 0.0 108.811 -177.528 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.472 ' CD2' ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.51 -39.15 33.02 Favored 'General case' 0 N--CA 1.502 2.145 0 N-CA-C 106.59 -1.634 . . . . 0.0 106.59 177.539 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.444 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 18.8 ptpt -94.06 -23.48 17.98 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 176.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 12' ' ' LYS . . . . . . . . 0 N--CA 1.488 1.452 0 C-N-CA 123.379 0.672 . . . . 0.0 112.09 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 1.062 ' C ' HD13 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 1.062 HD13 ' C ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -157.43 1.37 0.12 Allowed 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -178.517 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.055 ' HA ' HD11 ' A' ' 7' ' ' LEU . 4.1 p90 177.26 -24.71 0.0 OUTLIER 'General case' 0 C--N 1.276 -2.622 0 C-N-CA 118.851 -1.14 . . . . 0.0 110.307 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.757 ' N ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -110.85 -4.3 15.3 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 176.662 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.657 ' CG2' ' HA ' ' A' ' 1' ' ' ALA 0.256 0.0 OUTLIER -144.83 -35.52 0.33 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -179.387 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.146 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -60.17 -12.52 8.84 Favored 'General case' 0 C--O 1.188 -2.175 0 O-C-N 121.622 -0.674 . . . . 0.0 109.446 178.003 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.146 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -83.82 -35.39 24.28 Favored 'General case' 0 C--N 1.289 -2.041 0 N-CA-C 105.797 -1.927 . . . . 0.0 105.797 178.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.708 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -77.77 -31.29 51.88 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 176.477 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.597 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -85.36 -21.68 28.77 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.519 176.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -48.7 -36.45 7.58 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.521 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.573 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 1.7 mp -48.26 -37.75 16.95 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 177.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 9' ' ' LYS . 4.5 mtmt -114.77 28.08 8.97 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 176.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . . . 17.87 133.45 0.0 OUTLIER 'General case' 2 C--O 1.082 -7.746 1 N-CA-C 122.307 4.188 . . . . 0.0 122.307 179.593 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.129 -8.986 1 O-C-N 110.303 -7.748 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.97 ' HA ' HG23 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 119.96 -0.067 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.961 ' N ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -154.72 1.44 0.19 Allowed 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 178.864 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.116 ' HA ' HD11 ' A' ' 7' ' ' LEU . 5.2 p90 173.12 -23.81 0.0 OUTLIER 'General case' 0 C--N 1.288 -2.085 0 CA-C-N 118.747 0.703 . . . . 0.0 109.91 178.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.612 ' HG2' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -112.33 0.68 15.76 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 176.254 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.97 HG23 ' HA ' ' A' ' 1' ' ' ALA 0.254 0.0 OUTLIER -153.66 -35.04 0.11 Allowed 'General case' 0 N--CA 1.498 1.953 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.279 -177.982 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.146 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -60.43 -21.77 62.65 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.622 -0.674 . . . . 0.0 110.326 178.329 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.146 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -73.22 -37.32 66.47 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 105.756 -1.942 . . . . 0.0 105.756 178.76 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.745 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.03 -31.35 62.86 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 175.526 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.735 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.264 0.0 OUTLIER -93.1 16.95 11.72 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 115.065 -0.97 . . . . 0.0 108.803 176.458 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -91.49 -31.28 4.89 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.902 0 C-N-CA 119.029 -1.068 . . . . 0.0 109.478 -176.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.662 HD13 HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -54.78 -36.67 65.14 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 177.389 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -96.33 -21.22 17.94 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 176.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 58.14 9.38 0.96 Allowed 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.143 0 O-C-N 119.155 -2.216 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.979 ' C ' HD13 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 111.676 0.251 . . . . 0.0 111.676 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.979 HD13 ' C ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -154.71 4.28 0.23 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.162 -1.586 . . . . 0.0 114.316 178.585 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.097 ' HA ' HD11 ' A' ' 7' ' ' LEU . 4.8 p90 170.09 -24.88 0.0 OUTLIER 'General case' 0 C--N 1.282 -2.33 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.677 ' N ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -109.61 -2.78 17.31 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 177.056 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.704 HG23 ' HA ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -149.52 -40.57 0.14 Allowed 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -179.258 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.161 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -50.17 -23.8 2.41 Favored 'General case' 0 C--O 1.182 -2.482 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.026 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.161 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -72.35 -38.0 68.69 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 178.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.708 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -75.48 -31.35 60.19 Favored 'General case' 0 C--N 1.286 -2.157 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 176.122 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.648 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.252 0.0 OUTLIER -92.42 14.21 17.27 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 114.945 -1.025 . . . . 0.0 108.73 176.534 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -89.2 -36.6 8.95 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.309 0 C-N-CA 118.619 -1.232 . . . . 0.0 108.892 -176.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.719 ' H ' HD22 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -48.3 -35.39 12.18 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 177.376 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 9' ' ' LYS . 13.1 ptpt -96.59 -24.46 16.02 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 176.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . 53.55 122.77 0.0 OUTLIER 'General case' 0 C--O 1.172 -2.996 0 N-CA-C 119.413 3.116 . . . . 0.0 119.413 178.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.223 -4.929 1 O-C-N 115.705 -4.372 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.967 ' C ' HD13 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.967 HD13 ' C ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -154.76 3.69 0.22 Allowed 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.321 -1.487 . . . . 0.0 114.951 178.821 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.048 ' HA ' HD11 ' A' ' 7' ' ' LEU . 4.9 p90 171.07 -24.56 0.0 OUTLIER 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 118.276 0.489 . . . . 0.0 109.747 178.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.717 ' N ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -110.39 -4.97 15.32 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 177.141 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.712 HG23 ' HA ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -146.45 -38.31 0.23 Allowed 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -179.106 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.176 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -56.39 -13.17 2.04 Favored 'General case' 0 C--O 1.188 -2.171 0 O-C-N 122.004 -0.435 . . . . 0.0 110.061 177.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.176 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -84.45 -36.51 22.27 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 178.78 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.729 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -77.86 -29.86 50.62 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 175.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.6 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -87.06 -19.54 28.45 Favored 'General case' 0 C--O 1.193 -1.877 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 176.747 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -49.17 -42.8 15.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -178.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.645 HD21 ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -47.18 -35.85 7.92 Favored 'General case' 0 N--CA 1.507 2.394 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 176.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.1 mtmt -121.87 32.76 5.72 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 124.037 1.875 . . . . 0.0 110.31 177.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 9' ' ' LYS . . . 11.73 83.81 0.01 OUTLIER 'General case' 1 C--O 1.358 6.797 1 N-CA-C 127.249 6.018 . . . . 0.0 127.249 178.098 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.097 1 CA-C-N 98.716 -8.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.915 ' C ' HD13 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.493 1.7 0 N-CA-C 111.24 0.089 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.947 ' N ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -154.45 0.01 0.19 Allowed 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 178.681 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.082 ' HA ' HD11 ' A' ' 7' ' ' LEU . 4.9 p90 173.8 -23.8 0.0 OUTLIER 'General case' 0 C--N 1.289 -2.047 0 CA-C-N 118.777 0.717 . . . . 0.0 110.064 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.619 ' N ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -111.6 -1.36 15.79 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 176.352 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.902 HG23 ' HA ' ' A' ' 1' ' ' ALA 0.254 0.0 OUTLIER -150.93 -35.7 0.14 Allowed 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 -178.162 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.135 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -61.22 -13.49 18.71 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.626 -0.671 . . . . 0.0 110.521 178.15 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.135 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -82.96 -36.48 25.11 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 178.706 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.766 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -76.14 -28.98 57.62 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 175.562 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.694 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -90.06 -6.6 55.34 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.47 176.793 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -64.29 -34.15 67.25 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.936 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.466 ' CD2' ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -53.4 -37.65 62.7 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 177.503 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 13' ' ' ALA . 8.6 mtmt -112.38 31.11 6.54 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 176.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.49 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . . . 16.81 91.52 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.311 0 C-N-CA 124.585 1.154 . . . . 0.0 112.785 -177.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.759 -1.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.965 ' HA ' HG23 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.494 1.77 0 N-CA-C 111.18 0.067 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.963 ' N ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -156.21 5.35 0.18 Allowed 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 178.701 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.999 ' HA ' HD11 ' A' ' 7' ' ' LEU . 5.8 p90 166.53 -23.82 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 121.883 0.849 . . . . 0.0 108.798 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.687 ' HG3' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -109.55 6.43 23.99 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 176.762 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.965 HG23 ' HA ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -166.21 -35.98 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -177.261 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.044 HD23 HD13 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -57.65 -23.42 51.2 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.732 -0.605 . . . . 0.0 110.243 178.479 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.044 HD13 HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -72.35 -38.13 68.66 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 105.769 -1.937 . . . . 0.0 105.769 178.641 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.764 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.3 -31.25 63.92 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 175.731 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.713 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.26 0.0 OUTLIER -92.11 16.75 10.65 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.144 -0.934 . . . . 0.0 108.915 176.137 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -93.83 -31.36 4.47 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 C-N-CA 119.161 -1.016 . . . . 0.0 109.373 -177.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.588 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -52.94 -37.12 60.65 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 177.297 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 6.9 ptpt -94.44 -23.0 17.92 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 176.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 12' ' ' LYS . . . 60.39 112.78 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.204 0.602 . . . . 0.0 111.793 178.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.247 0 O-C-N 119.662 -1.899 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 1.042 ' C ' HD13 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.497 1.914 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 1.042 HD13 ' C ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -157.81 1.6 0.11 Allowed 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 -178.412 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.1 ' HA ' HD11 ' A' ' 7' ' ' LEU . 4.2 p90 176.09 -25.4 0.0 OUTLIER 'General case' 0 C--N 1.281 -2.382 0 C-N-CA 119.52 -0.872 . . . . 0.0 110.255 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.696 ' N ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -109.1 -4.13 16.83 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 176.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.661 ' CG2' ' HA ' ' A' ' 1' ' ' ALA 0.26 0.0 OUTLIER -147.71 -37.01 0.2 Allowed 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.131 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.159 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -55.22 -20.74 11.59 Favored 'General case' 0 C--O 1.18 -2.57 0 O-C-N 121.813 -0.554 . . . . 0.0 109.539 177.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.159 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -74.49 -37.38 63.18 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 106.168 -1.789 . . . . 0.0 106.168 178.456 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.719 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -75.52 -30.23 59.72 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 175.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.607 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.253 0.1 OUTLIER -93.7 8.82 39.5 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.02 176.268 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -81.67 -35.6 13.8 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.914 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.107 -176.808 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.705 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -49.61 -32.54 13.07 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 176.514 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -98.26 -24.56 15.19 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.492 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 9' ' ' LYS 0.317 . . 59.29 153.21 0.02 OUTLIER 'General case' 0 C--O 1.299 3.66 0 N-CA-C 104.568 -2.382 . . . . 0.0 104.568 -179.393 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 1 CA-C-N 105.293 -5.412 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 1.027 ' HA ' HG23 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.495 1.78 0 N-CA-C 111.21 0.078 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.906 HD13 ' C ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -154.49 -3.01 0.17 Allowed 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 178.158 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.076 ' HA ' HD11 ' A' ' 7' ' ' LEU . 4.8 p90 172.5 -23.41 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 118.645 0.657 . . . . 0.0 109.829 178.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.634 ' HG2' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -115.27 5.23 14.65 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 176.178 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 1.027 HG23 ' HA ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -156.54 -35.93 0.08 Allowed 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.611 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.197 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.68 -22.16 61.58 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.647 -0.658 . . . . 0.0 110.005 178.023 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.197 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -74.55 -36.98 63.13 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.369 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.692 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.57 -32.77 64.33 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 105.692 -1.966 . . . . 0.0 105.692 175.352 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.834 ' HE3' ' HB2' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -89.19 9.49 25.48 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.39 176.368 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.1 t -87.81 -29.02 5.48 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -177.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.506 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 2.2 mp -50.87 -38.43 49.41 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 177.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.77 -22.85 17.25 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 176.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 58.87 174.21 0.07 Allowed 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.053 0.541 . . . . 0.0 111.88 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.23 0 O-C-N 119.682 -1.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.95 ' HA ' HG23 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 111.161 0.06 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.962 ' N ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -155.37 4.79 0.21 Allowed 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 178.664 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.051 ' HA ' HD11 ' A' ' 7' ' ' LEU . 6.0 p90 166.81 -23.64 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.663 ' HG2' ' NE1' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -110.12 7.76 23.58 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 176.772 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.95 HG23 ' HA ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -167.24 -35.84 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -177.262 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.165 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -58.06 -21.55 46.18 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.853 -0.529 . . . . 0.0 110.36 178.363 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.165 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -74.99 -37.0 61.98 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 178.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.736 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.55 -32.98 64.48 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 105.769 -1.937 . . . . 0.0 105.769 175.503 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.709 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -88.44 7.59 32.0 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.667 176.435 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.1 t -84.86 -28.7 6.64 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -178.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.52 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 2.6 mp -52.43 -38.45 59.18 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 177.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -98.62 -17.47 18.61 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 58.69 109.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.496 0.718 . . . . 0.0 111.956 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.224 0 O-C-N 119.803 -1.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 1.023 ' HA ' HG23 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 120.177 0.037 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.926 HD13 ' C ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -154.72 -4.32 0.15 Allowed 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 178.039 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.045 ' C ' HD21 ' A' ' 7' ' ' LEU . 4.7 p90 173.51 -23.11 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.96 0 CA-C-N 118.787 0.721 . . . . 0.0 109.916 178.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.677 ' HG2' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -115.51 6.5 14.7 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 176.069 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 1.023 HG23 ' HA ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -156.94 -36.43 0.08 Allowed 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -178.715 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.158 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -61.9 -14.44 34.17 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 121.671 -0.643 . . . . 0.0 110.534 178.051 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.158 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -82.84 -36.45 25.48 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 179.031 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.768 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.89 -33.54 62.06 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 175.32 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.712 ' HE3' ' HB2' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -82.72 -11.67 58.15 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.703 176.645 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -62.51 -29.66 47.35 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -178.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.51 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 1.9 mp -53.54 -36.48 61.87 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -115.98 23.38 12.26 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 176.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . . . 29.09 73.69 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.724 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.189 0 O-C-N 119.757 -1.839 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.974 ' C ' HD13 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.497 1.911 0 N-CA-C 110.669 -0.123 . . . . 0.0 110.669 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.974 HD13 ' C ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -156.25 -0.52 0.13 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.092 ' HA ' HD11 ' A' ' 7' ' ' LEU . 4.8 p90 176.47 -24.09 0.0 OUTLIER 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 119.209 0.913 . . . . 0.0 110.311 179.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -111.76 0.91 16.4 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 176.312 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.807 HG23 ' HA ' ' A' ' 1' ' ' ALA 0.257 0.1 OUTLIER -153.78 -35.14 0.1 Allowed 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -178.159 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.113 HD23 HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.97 -23.29 63.48 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.584 -0.697 . . . . 0.0 110.108 178.394 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.113 HD13 HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -71.47 -38.09 71.27 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 105.849 -1.908 . . . . 0.0 105.849 178.689 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.765 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -72.92 -30.9 64.26 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 175.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.691 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.262 0.1 OUTLIER -94.68 18.52 11.44 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 176.369 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -94.62 -31.64 4.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 C-N-CA 119.256 -0.978 . . . . 0.0 109.775 -176.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.651 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -54.03 -37.02 63.66 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 177.086 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.685 ' HD3' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -98.73 -13.87 20.02 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.06 176.543 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.457 ' H ' ' C ' ' A' ' 10' ' ' VAL . . . 51.32 84.48 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 123.197 0.599 . . . . 0.0 111.633 178.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 119.665 -1.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.96 ' HA ' HG23 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.494 1.762 0 N-CA-C 111.168 0.062 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.955 ' N ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -156.34 5.35 0.17 Allowed 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 178.637 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.023 ' HA ' HD11 ' A' ' 7' ' ' LEU . 5.7 p90 166.53 -23.72 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.695 ' HG3' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -109.51 6.1 23.8 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 176.714 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.96 HG23 ' HA ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -165.9 -36.26 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 -177.284 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.031 HD23 HD13 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -57.54 -21.67 39.73 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.778 -0.576 . . . . 0.0 110.236 178.434 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.031 HD13 HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -74.37 -38.25 63.23 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 178.813 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.707 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -72.76 -32.61 65.76 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 105.755 -1.943 . . . . 0.0 105.755 175.64 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.714 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -88.21 8.94 24.71 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.413 176.008 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.1 t -88.92 -28.25 5.27 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.973 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -178.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.481 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 3.6 mp -50.43 -36.61 33.92 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 177.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.446 ' HE2' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -100.8 -19.03 16.16 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 176.566 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.35 93.5 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.049 0.54 . . . . 0.0 111.882 178.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.269 0 O-C-N 119.799 -1.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.962 ' C ' HD13 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 111.423 0.157 . . . . 0.0 111.423 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.988 HD23 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -156.44 8.32 0.21 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.375 -1.453 . . . . 0.0 114.143 178.378 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.09 ' HA ' HD11 ' A' ' 7' ' ' LEU . 5.4 p90 164.36 -25.76 0.0 OUTLIER 'General case' 0 C--N 1.285 -2.206 0 CA-C-O 122.241 1.02 . . . . 0.0 108.293 177.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.799 ' HE2' HD21 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -104.18 -1.9 26.54 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 177.655 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.785 HG23 ' HA ' ' A' ' 1' ' ' ALA . 0.3 OUTLIER -158.7 -40.28 0.06 Allowed 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -177.758 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.149 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -46.98 -26.92 1.11 Allowed 'General case' 0 C--O 1.189 -2.129 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.649 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.149 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -68.7 -40.32 80.09 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 179.671 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.671 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.38 -29.52 62.67 Favored 'General case' 0 C--N 1.285 -2.197 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 176.562 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.669 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.255 0.0 OUTLIER -95.44 16.21 17.56 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.017 -0.992 . . . . 0.0 108.426 176.791 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.91 HG23 ' HG ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -96.45 -39.77 9.71 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.181 0 C-N-CA 118.852 -1.139 . . . . 0.0 108.636 -177.297 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.61 HD12 ' O ' ' A' ' 8' ' ' LYS . 1.7 mp -44.45 -30.73 0.91 Allowed 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 178.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.503 ' HE3' ' HA ' ' A' ' 9' ' ' LYS . 11.2 ptpt -103.79 -24.29 13.33 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 176.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 10' ' ' VAL 0.268 . . 65.33 134.37 0.02 OUTLIER 'General case' 1 C--O 0.974 -13.403 1 CA-C-O 131.428 5.394 . . . . 0.0 104.214 177.181 . . . . . . . . 5 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.269 1 O-C-N 65.765 -35.585 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.953 ' HA ' HG23 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.495 1.779 0 N-CA-C 111.058 0.021 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.962 ' N ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -155.63 5.23 0.2 Allowed 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 178.736 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.067 ' HA ' HD11 ' A' ' 7' ' ' LEU . 6.0 p90 166.22 -23.71 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.699 ' HE3' HG21 ' A' ' 5' ' ' THR . 0.1 OUTLIER -109.48 6.87 24.51 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 176.821 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.953 HG23 ' HA ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -166.9 -35.59 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 -177.138 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.19 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -58.01 -20.44 38.57 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.922 -0.487 . . . . 0.0 110.284 178.38 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.19 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -76.44 -37.0 57.63 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 105.974 -1.861 . . . . 0.0 105.974 178.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.715 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.55 -30.04 61.6 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 175.68 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.655 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.254 0.0 OUTLIER -91.14 3.94 53.48 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.609 176.43 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.2 t -77.8 -34.5 19.89 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.06 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -177.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.483 ' CD2' ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.4 -38.73 54.93 Favored 'General case' 0 N--CA 1.502 2.135 0 N-CA-C 106.333 -1.728 . . . . 0.0 106.333 177.278 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 13' ' ' ALA . 2.7 mtmp? -114.88 31.37 6.72 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 176.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.484 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . . . 19.98 -91.86 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.274 0 C-N-CA 124.414 1.086 . . . . 0.0 112.588 -178.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.222 0 O-C-N 119.328 -2.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.948 ' HA ' HG23 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.493 1.677 0 N-CA-C 111.13 0.048 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.949 ' N ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -154.75 0.48 0.18 Allowed 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 178.82 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.121 ' HA ' HD11 ' A' ' 7' ' ' LEU . 5.1 p90 173.42 -24.09 0.0 OUTLIER 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 118.701 0.682 . . . . 0.0 109.889 178.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.582 ' HG2' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -113.15 2.21 15.55 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 176.287 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.948 HG23 ' HA ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -154.09 -35.93 0.1 Allowed 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -178.532 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.151 HD23 ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.27 -22.2 60.79 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.617 -0.677 . . . . 0.0 110.114 178.154 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.151 ' CD1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -73.42 -37.17 65.99 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 178.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.72 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.34 -31.25 63.85 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 175.634 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.723 ' HB2' ' HA ' ' A' ' 6' ' ' LEU 0.258 0.1 OUTLIER -92.31 13.47 19.24 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.199 176.378 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -90.14 -34.74 6.79 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 C-N-CA 119.56 -0.856 . . . . 0.0 108.811 -177.528 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.472 ' CD2' ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.51 -39.15 33.02 Favored 'General case' 0 N--CA 1.502 2.145 0 N-CA-C 106.59 -1.634 . . . . 0.0 106.59 177.539 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.444 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 18.8 ptpt -94.06 -23.48 17.98 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 176.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 12' ' ' LYS . . . 62.26 155.61 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.379 0.672 . . . . 0.0 112.09 178.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.823 -1.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_