data_2dcx_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 2dcx _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 . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.508 2.458 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.69 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 12.1 p-90 -134.13 -42.25 0.81 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.001 -1.062 . . . . 0.0 110.212 177.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.611 ' HD2' ' CE2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -46.88 -26.01 0.89 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.84 -1.162 . . . . 0.0 109.581 178.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.533 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -87.53 8.19 26.13 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.765 -0.584 . . . . 0.0 110.465 179.321 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.69 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 14.7 mt -101.61 -33.13 10.03 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.575 ' HB3' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -116.62 39.46 3.16 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 177.561 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.533 ' HE2' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -56.61 -12.33 1.75 Allowed 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 121.489 0.661 . . . . 0.0 109.694 179.077 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.501 ' CE ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 169.06 -18.53 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 -179.609 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 11' ' ' LEU . 3.8 m -77.9 14.19 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 O-C-N 121.582 -0.699 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' VAL . 7.8 mt 44.25 66.64 0.81 Allowed 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.038 -1.039 . . . . 0.0 109.089 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.575 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.306 -1.307 0 O-C-N 121.686 -0.634 . . . . 0.0 110.434 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.505 2.303 0 CA-C-O 121.056 0.455 . . . . 0.0 112.056 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.734 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 30.4 p-90 -132.91 -43.4 0.89 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.181 -0.949 . . . . 0.0 110.243 178.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.648 ' N ' ' CG ' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -57.9 -20.08 34.49 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.001 -1.062 . . . . 0.0 108.6 179.852 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.518 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -83.78 4.81 27.4 Favored 'General case' 0 C--O 1.208 -1.105 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 176.622 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.734 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 16.7 mt -101.77 -33.61 9.77 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 178.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.598 ' HB3' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -114.71 39.23 2.89 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 121.638 0.732 . . . . 0.0 109.046 178.007 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.521 ' HE3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -57.96 -10.28 1.72 Allowed 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.512 -0.742 . . . . 0.0 109.984 179.022 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 167.58 -18.6 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.49 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 6' ' ' LEU . 4.6 m -77.66 12.76 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.204 -1.305 0 O-C-N 121.603 -0.686 . . . . 0.0 110.856 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' VAL . 7.6 mt 44.15 64.36 1.33 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.94 -1.1 . . . . 0.0 109.528 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.598 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.482 0 O-C-N 121.565 -0.709 . . . . 0.0 111.316 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.46 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 121.264 0.554 . . . . 0.0 109.794 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.787 ' HA ' ' HG ' ' A' ' 6' ' ' LEU . 8.3 p-90 -136.36 -45.89 0.62 Allowed 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 118.904 -1.118 . . . . 0.0 111.749 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.599 ' N ' ' CG ' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -38.05 -28.16 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 O-C-N 121.531 -0.73 . . . . 0.0 111.705 -179.326 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.551 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 3.4 t -82.77 -45.38 14.44 Favored 'General case' 0 C--O 1.194 -1.854 0 O-C-N 121.229 -0.92 . . . . 0.0 109.72 178.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.787 ' HG ' ' HA ' ' A' ' 3' ' ' TRP . 8.8 mt -39.43 -37.29 0.45 Allowed 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.854 -0.529 . . . . 0.0 110.447 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.601 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -107.67 42.98 1.25 Allowed 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.801 0.81 . . . . 0.0 109.005 178.187 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.551 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -62.86 -8.26 6.64 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.874 -0.516 . . . . 0.0 110.189 179.363 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 4.2 ttpt 165.48 -19.55 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 -179.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' A' ' 6' ' ' LEU . 6.0 m -75.2 10.98 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 O-C-N 121.629 -0.669 . . . . 0.0 111.106 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 7.7 mt 45.06 57.88 4.42 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.978 -1.076 . . . . 0.0 109.428 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.551 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.836 -0.54 . . . . 0.0 111.581 -178.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.506 2.328 0 CA-C-O 121.438 0.637 . . . . 0.0 111.384 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.793 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 24.8 p-90 -129.99 -37.96 1.47 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.471 -0.768 . . . . 0.0 110.457 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.563 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -62.21 -19.72 63.44 Favored 'General case' 0 C--N 1.308 -1.207 0 O-C-N 121.147 -0.971 . . . . 0.0 109.521 -179.688 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.627 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -87.23 7.97 26.09 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 176.321 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.793 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 14.8 mt -102.11 -37.57 8.1 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.738 ' HB3' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -115.38 41.25 2.51 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.72 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.627 ' HE2' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -59.62 -12.09 6.08 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.841 -0.537 . . . . 0.0 111.0 179.568 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 15.4 ttpt 171.87 -23.45 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.063 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.7 m -72.92 7.71 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.76 -0.588 . . . . 0.0 112.142 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 12.9 mt 46.72 58.96 4.23 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.111 -0.993 . . . . 0.0 108.787 -178.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.738 ' HD2' ' HB3' ' A' ' 7' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.787 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.724 -178.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.505 2.304 0 CA-C-O 121.102 0.477 . . . . 0.0 112.045 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.708 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 31.1 p-90 -132.74 -43.92 0.89 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.072 -1.018 . . . . 0.0 110.29 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.663 ' N ' ' CG ' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -57.41 -20.66 31.37 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.968 -1.082 . . . . 0.0 108.312 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.534 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -82.83 3.62 28.82 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 177.224 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.708 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 16.0 mt -100.86 -33.93 10.01 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.575 ' HB3' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -114.77 38.27 3.18 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 119.726 -0.79 . . . . 0.0 109.35 178.377 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.534 ' HE2' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -57.29 -11.52 1.83 Allowed 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 121.622 0.725 . . . . 0.0 109.57 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 168.68 -18.8 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -179.413 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 6' ' ' LEU . 4.0 m -77.84 12.88 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 O-C-N 121.683 -0.636 . . . . 0.0 110.944 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 10' ' ' VAL . 7.4 mt 43.58 63.14 1.65 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.036 -1.04 . . . . 0.0 109.049 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.575 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.305 -1.341 0 O-C-N 121.669 -0.644 . . . . 0.0 110.343 -179.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.443 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 121.262 0.553 . . . . 0.0 110.084 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.605 ' CE2' ' HD2' ' A' ' 4' ' ' LYS . 10.1 p-90 -137.0 -43.26 0.57 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.15 -0.969 . . . . 0.0 111.298 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.605 ' HD2' ' CE2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -38.58 -27.4 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.118 0 O-C-N 121.67 -0.644 . . . . 0.0 110.935 -179.667 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.591 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 4.4 t -84.28 -44.91 13.38 Favored 'General case' 0 C--O 1.197 -1.683 0 O-C-N 121.19 -0.944 . . . . 0.0 109.427 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.536 ' N ' ' CG2' ' A' ' 5' ' ' THR . 5.0 mp -37.63 -36.35 0.17 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.966 -0.459 . . . . 0.0 111.186 179.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.6 ' HB3' ' HA ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -111.6 45.56 1.21 Allowed 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 122.197 0.998 . . . . 0.0 109.029 178.62 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.591 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -62.15 -12.85 21.94 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.544 -179.473 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.55 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 164.23 -29.99 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 -179.126 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.586 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 1.4 m -39.7 -89.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.278 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.659 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 1.3 pt? 172.74 50.05 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.6 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -176.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.499 1.998 0 CA-C-O 121.025 0.44 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.795 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 6.5 p-90 -121.47 -38.09 2.82 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.366 -0.834 . . . . 0.0 111.13 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.524 ' HD2' ' CE2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -53.63 -25.62 18.58 Favored 'General case' 0 C--N 1.31 -1.139 0 O-C-N 120.851 -1.155 . . . . 0.0 109.62 179.334 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.543 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -88.46 12.14 15.14 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.968 -0.458 . . . . 0.0 110.329 178.463 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.795 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 15.1 mt -105.26 -38.88 6.37 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.765 ' HB3' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -115.91 43.77 2.05 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 177.813 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.543 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -55.99 -16.28 4.66 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.265 0.555 . . . . 0.0 110.328 179.623 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER 174.09 -21.94 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.262 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.6 m -71.94 12.77 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.711 -0.618 . . . . 0.0 112.232 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.0 mt 46.07 60.96 2.92 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.124 -0.985 . . . . 0.0 109.693 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.765 ' HD2' ' HB3' ' A' ' 7' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 121.41 0.624 . . . . 0.0 110.906 -179.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.501 2.093 0 CA-C-O 121.639 0.733 . . . . 0.0 109.036 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.599 ' O ' HD13 ' A' ' 7' ' ' LEU . 9.8 p-90 -147.58 -38.35 0.2 Allowed 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.397 -177.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.587 ' HD2' ' CE2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -42.91 -26.27 0.13 Allowed 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.52 -0.737 . . . . 0.0 110.597 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.553 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 10.6 t -82.65 -37.9 24.25 Favored 'General case' 0 C--O 1.195 -1.781 0 O-C-N 121.417 -0.802 . . . . 0.0 109.132 177.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.526 ' CD2' ' HA ' ' A' ' 3' ' ' TRP . 4.4 mp -47.12 -33.36 5.0 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 121.612 -0.68 . . . . 0.0 110.589 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.616 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -111.18 45.13 1.21 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 177.785 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.553 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -59.53 -11.47 4.74 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.262 179.161 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 18.4 ttpt 164.13 -20.56 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 m -71.81 3.24 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 O-C-N 121.902 -0.499 . . . . 0.0 111.027 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 mt 46.26 61.59 2.66 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.555 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.197 -1.688 0 CA-C-O 122.404 1.097 . . . . 0.0 110.691 -177.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.505 2.308 0 CA-C-O 121.201 0.524 . . . . 0.0 111.438 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.567 ' O ' HD12 ' A' ' 7' ' ' LEU . 22.7 p-90 -124.2 -42.54 2.12 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.261 -0.899 . . . . 0.0 109.955 178.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.665 ' HA ' HD23 ' A' ' 7' ' ' LEU . 1.1 ptmt -59.61 -19.9 52.14 Favored 'General case' 0 C--N 1.311 -1.087 0 O-C-N 121.431 -0.793 . . . . 0.0 110.06 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.658 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -87.25 6.24 34.23 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 177.076 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.582 HD13 HG23 ' A' ' 5' ' ' THR . 5.8 mp -103.01 -36.75 8.06 Favored 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.699 ' HB3' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -111.48 41.45 1.88 Allowed 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 177.299 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.658 ' HE2' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -59.88 -11.09 4.75 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.938 -0.476 . . . . 0.0 110.706 179.502 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 2.2 tmmt? 170.84 -22.12 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.147 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 m -76.81 4.7 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.804 -0.56 . . . . 0.0 111.709 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.444 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 10.9 mp 43.91 62.59 1.89 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.272 -0.892 . . . . 0.0 108.808 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.699 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 8.0 mmmm . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 121.237 0.541 . . . . 0.0 111.031 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.503 2.214 0 CA-C-O 121.296 0.57 . . . . 0.0 111.406 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.737 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 32.8 p-90 -133.76 -41.77 0.84 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.969 -1.082 . . . . 0.0 111.131 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.668 ' N ' ' CG ' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -61.49 -16.11 44.26 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.047 -1.033 . . . . 0.0 108.719 -178.633 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.633 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -86.79 5.29 37.23 Favored 'General case' 0 C--O 1.211 -0.964 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 176.012 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.737 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 14.4 mt -101.48 -34.33 9.6 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.609 ' HB3' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -116.32 38.34 3.43 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.574 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.536 ' HE2' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -54.76 -18.53 4.82 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 121.749 0.785 . . . . 0.0 109.454 178.695 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.507 ' HG3' ' N ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER 177.81 -19.13 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.899 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.507 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 6.0 m -77.64 15.71 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 O-C-N 121.566 -0.709 . . . . 0.0 111.437 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.566 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 9.5 mp 43.67 64.74 1.16 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.44 -0.787 . . . . 0.0 109.13 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.609 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -178.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.505 2.322 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.566 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 29.4 p-90 -126.37 -36.2 2.32 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.071 -177.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.574 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -59.43 -19.84 50.46 Favored 'General case' 0 C--N 1.309 -1.168 0 O-C-N 121.197 -0.939 . . . . 0.0 110.632 -178.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.624 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -88.74 12.52 14.72 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 176.683 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.578 ' CD1' HG22 ' A' ' 5' ' ' THR . 4.6 mp -107.33 -39.5 5.65 Favored 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.656 ' CB ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -114.12 34.13 4.85 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 177.456 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.624 ' HE2' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -71.81 -7.08 46.14 Favored 'General case' 0 N--CA 1.501 2.077 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.705 -178.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 2.6 ttpt -179.79 -24.26 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.64 -0.662 . . . . 0.0 109.77 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 6' ' ' LEU . 10.9 m -77.43 18.17 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.478 -0.763 . . . . 0.0 111.785 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.438 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 10.8 mp 45.37 63.08 1.9 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.176 -0.953 . . . . 0.0 110.331 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.656 ' HD2' ' CB ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.498 1.971 0 O-C-N 121.828 -0.545 . . . . 0.0 110.867 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.505 2.286 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.506 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 24.8 p-90 -122.73 -32.14 3.6 Favored 'General case' 0 N--CA 1.496 1.866 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.148 -177.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.59 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -63.54 -15.64 58.53 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 121.426 -0.796 . . . . 0.0 110.367 -179.273 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.653 HG22 ' CD1' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -94.73 12.38 28.04 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 176.57 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.674 ' CA ' ' HE2' ' A' ' 8' ' ' LYS . 6.8 mp -107.45 -32.96 7.51 Favored 'General case' 0 N--CA 1.508 2.437 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 178.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.643 ' HB3' ' CD ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -113.03 26.17 10.73 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.003 179.075 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.674 ' HE2' ' CA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -39.9 -35.98 0.41 Allowed 'General case' 0 N--CA 1.502 2.146 0 CA-C-O 121.974 0.892 . . . . 0.0 109.875 -179.184 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -175.55 23.23 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.02 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 6' ' ' LEU . 18.9 m -120.79 11.13 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 O-C-N 121.608 -0.683 . . . . 0.0 110.248 -178.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 11.0 mt 47.16 54.9 8.78 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -178.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.643 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.976 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.504 2.231 0 CA-C-O 121.321 0.582 . . . . 0.0 111.818 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.791 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 15.9 p-90 -124.12 -29.67 3.56 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.416 -0.803 . . . . 0.0 110.329 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.64 ' HE3' ' CD1' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -71.45 1.0 7.02 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.599 0.714 . . . . 0.0 110.202 179.373 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.592 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -113.82 5.96 16.52 Favored 'General case' 0 C--O 1.199 -1.593 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.438 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.791 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 12.7 mt -96.05 -45.32 6.95 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.743 HD23 ' C ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -84.04 39.18 0.69 Allowed 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 114.577 -1.192 . . . . 0.0 110.143 177.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.592 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -47.81 -24.33 0.96 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 122.035 0.922 . . . . 0.0 110.39 -179.516 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 174.83 -19.55 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.278 -178.589 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.3 m -69.33 12.46 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.534 -0.729 . . . . 0.0 112.095 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.9 mt 46.98 59.5 3.97 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.903 . . . . 0.0 109.002 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.568 ' HD2' ' HB3' ' A' ' 7' ' ' LEU . 2.7 mmmm . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.365 0.602 . . . . 0.0 110.902 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.509 2.483 0 CA-C-O 121.885 0.85 . . . . 0.0 112.543 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.58 ' O ' HD13 ' A' ' 7' ' ' LEU . 10.4 p-90 -158.13 -34.18 0.07 Allowed 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.267 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.515 ' N ' ' CG ' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -45.74 -27.65 0.87 Allowed 'General case' 0 N--CA 1.484 1.227 0 O-C-N 121.077 -1.014 . . . . 0.0 110.821 -179.546 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.552 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 13.1 t -85.03 -33.57 22.49 Favored 'General case' 0 C--O 1.202 -1.444 0 O-C-N 121.559 -0.713 . . . . 0.0 109.191 177.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.558 ' O ' ' HE3' ' A' ' 8' ' ' LYS . 8.9 mp -51.82 -34.47 40.46 Favored 'General case' 0 N--CA 1.512 2.667 0 O-C-N 121.737 -0.602 . . . . 0.0 111.21 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.716 ' HB3' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -109.15 46.92 0.95 Allowed 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 177.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.558 ' HE3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -63.05 -15.44 56.53 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.274 179.795 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.467 ' HB3' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 174.57 -22.32 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 121.215 0.531 . . . . 0.0 109.634 -179.298 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.42 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 6.5 m -71.82 8.97 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.679 -0.638 . . . . 0.0 111.951 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 13.5 mt 46.09 58.13 4.69 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.162 -0.961 . . . . 0.0 108.998 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.716 ' HD2' ' HB3' ' A' ' 7' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.496 1.835 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -178.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.439 ' O ' HD11 ' A' ' 6' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.506 2.331 0 CA-C-O 121.254 0.55 . . . . 0.0 111.786 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.642 ' CG ' ' N ' ' A' ' 4' ' ' LYS . 33.7 p-90 -127.68 -46.24 1.44 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.347 -0.845 . . . . 0.0 109.603 178.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.642 ' N ' ' CG ' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -56.11 -20.37 17.09 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.375 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.588 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -83.93 8.74 14.11 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 176.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.609 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 7.0 mp -110.42 -31.36 7.31 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.594 ' HB3' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -118.51 34.24 5.28 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.009 178.619 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.588 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -47.47 -19.77 0.19 Allowed 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.805 0.812 . . . . 0.0 109.689 178.218 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER 172.49 -16.33 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.568 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.501 HG11 ' NZ ' ' A' ' 8' ' ' LYS . 10.4 m -75.98 12.22 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.204 -1.335 0 O-C-N 121.519 -0.738 . . . . 0.0 111.208 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 8.7 mt 44.91 58.76 3.8 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.032 -1.042 . . . . 0.0 109.44 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.594 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.488 1.433 0 O-C-N 121.641 -0.662 . . . . 0.0 111.558 -177.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.62 ' O ' ' CB ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.5 2.029 0 CA-C-O 120.473 0.178 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.62 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER 89.65 52.72 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.458 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.69 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 12.1 p-90 -134.13 -42.25 0.81 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.001 -1.062 . . . . 0.0 110.212 177.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.611 ' HD2' ' CE2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -46.88 -26.01 0.89 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.84 -1.162 . . . . 0.0 109.581 178.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.533 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -87.53 8.19 26.13 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.765 -0.584 . . . . 0.0 110.465 179.321 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.69 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 14.7 mt -101.61 -33.13 10.03 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.575 ' HB3' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -116.62 39.46 3.16 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 177.561 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.533 ' HE2' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -56.61 -12.33 1.75 Allowed 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 121.489 0.661 . . . . 0.0 109.694 179.077 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.501 ' CE ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 169.06 -18.53 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 -179.609 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.459 ' CG2' ' HB1' ' A' ' 13' ' ' ALA . 3.8 m -77.9 14.19 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 O-C-N 121.582 -0.699 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' VAL . 7.8 mt 44.25 66.64 0.81 Allowed 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.038 -1.039 . . . . 0.0 109.089 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.575 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.4 OUTLIER 57.8 96.44 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.686 -0.634 . . . . 0.0 110.434 -178.794 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.459 ' HB1' ' CG2' ' A' ' 10' ' ' VAL . . . -158.21 169.22 25.01 Favored 'General case' 2 C--O 1.086 -7.506 0 N-CA-C 118.013 2.597 . . . . 0.0 118.013 -178.656 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.147 -8.231 1 O-C-N 101.023 -13.548 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' DOA . . . . . 0.432 ' N ' ' H72' ' A' ' 0' ' ' DOA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.564 ' O ' ' CB ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.513 2.678 0 CA-C-O 120.626 0.251 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.564 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER 81.82 59.52 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.303 0 CA-C-O 121.056 0.455 . . . . 0.0 112.056 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.734 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 30.4 p-90 -132.91 -43.4 0.89 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.181 -0.949 . . . . 0.0 110.243 178.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.648 ' N ' ' CG ' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -57.9 -20.08 34.49 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.001 -1.062 . . . . 0.0 108.6 179.852 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.518 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -83.78 4.81 27.4 Favored 'General case' 0 C--O 1.208 -1.105 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 176.622 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.734 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 16.7 mt -101.77 -33.61 9.77 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 178.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.598 ' HB3' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -114.71 39.23 2.89 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 121.638 0.732 . . . . 0.0 109.046 178.007 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.521 ' HE3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -57.96 -10.28 1.72 Allowed 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.512 -0.742 . . . . 0.0 109.984 179.022 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 167.58 -18.6 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.49 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.599 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 4.6 m -77.66 12.76 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.204 -1.305 0 O-C-N 121.603 -0.686 . . . . 0.0 110.856 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' VAL . 7.6 mt 44.15 64.36 1.33 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.94 -1.1 . . . . 0.0 109.528 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.598 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.4 OUTLIER 58.56 14.19 2.93 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.565 -0.709 . . . . 0.0 111.316 -178.649 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.599 ' O ' ' HB ' ' A' ' 10' ' ' VAL . . . -116.9 119.04 34.13 Favored 'General case' 0 N--CA 1.537 3.889 1 N-CA-C 123.977 4.806 . . . . 0.0 123.977 -179.372 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.124 -9.239 1 O-C-N 114.473 -5.142 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' DOA . . . . . 0.477 ' O ' ' CB ' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.529 3.503 0 N-CA-C 110.606 -0.146 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.46 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER -135.06 63.84 1.61 Allowed 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.136 -0.977 . . . . 0.0 109.794 178.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.787 ' HA ' ' HG ' ' A' ' 6' ' ' LEU . 8.3 p-90 -136.36 -45.89 0.62 Allowed 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 118.904 -1.118 . . . . 0.0 111.749 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.599 ' N ' ' CG ' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -38.05 -28.16 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 O-C-N 121.531 -0.73 . . . . 0.0 111.705 -179.326 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.551 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 3.4 t -82.77 -45.38 14.44 Favored 'General case' 0 C--O 1.194 -1.854 0 O-C-N 121.229 -0.92 . . . . 0.0 109.72 178.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.787 ' HG ' ' HA ' ' A' ' 3' ' ' TRP . 8.8 mt -39.43 -37.29 0.45 Allowed 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.854 -0.529 . . . . 0.0 110.447 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.601 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -107.67 42.98 1.25 Allowed 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.801 0.81 . . . . 0.0 109.005 178.187 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.551 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -62.86 -8.26 6.64 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.874 -0.516 . . . . 0.0 110.189 179.363 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 4.2 ttpt 165.48 -19.55 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 -179.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' A' ' 6' ' ' LEU . 6.0 m -75.2 10.98 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 O-C-N 121.629 -0.669 . . . . 0.0 111.106 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 7.7 mt 45.06 57.88 4.42 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.978 -1.076 . . . . 0.0 109.428 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.551 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.6 OUTLIER 65.12 8.47 4.81 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.836 -0.54 . . . . 0.0 111.581 -178.744 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 10' ' ' VAL . . . -102.72 67.45 0.98 Allowed 'General case' 0 N--CA 1.518 2.967 1 N-CA-C 122.324 4.194 . . . . 0.0 122.324 -176.759 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.228 -4.7 1 O-C-N 110.677 -7.514 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' DOA . . . . . 0.578 ' O ' ' CB ' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.457 ' O ' ' CB ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.503 2.215 0 CA-C-O 121.171 0.51 . . . . 0.0 111.376 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.457 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER 75.68 57.93 0.06 Allowed 'General case' 0 N--CA 1.506 2.328 0 CA-C-O 121.438 0.637 . . . . 0.0 111.384 179.043 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.793 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 24.8 p-90 -129.99 -37.96 1.47 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.471 -0.768 . . . . 0.0 110.457 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.563 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -62.21 -19.72 63.44 Favored 'General case' 0 C--N 1.308 -1.207 0 O-C-N 121.147 -0.971 . . . . 0.0 109.521 -179.688 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.627 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -87.23 7.97 26.09 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 176.321 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.793 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 14.8 mt -102.11 -37.57 8.1 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.738 ' HB3' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -115.38 41.25 2.51 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.72 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.627 ' HE2' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -59.62 -12.09 6.08 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.841 -0.537 . . . . 0.0 111.0 179.568 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 15.4 ttpt 171.87 -23.45 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.063 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.7 m -72.92 7.71 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.76 -0.588 . . . . 0.0 112.142 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 12.9 mt 46.72 58.96 4.23 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.111 -0.993 . . . . 0.0 108.787 -178.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.738 ' HD2' ' HB3' ' A' ' 7' ' ' LEU . 0.4 OUTLIER 68.28 -68.0 0.18 Allowed 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.724 -178.65 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 63.23 99.64 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.565 -0.709 . . . . 0.0 110.654 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.723 -1.861 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' DOA . . . . . 0.501 ' C ' ' HD1' ' A' ' 3' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.577 ' O ' ' CB ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.498 1.96 0 CA-C-O 121.276 0.56 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.577 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER 82.06 59.55 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.304 0 CA-C-O 121.102 0.477 . . . . 0.0 112.045 178.673 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.708 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 31.1 p-90 -132.74 -43.92 0.89 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.072 -1.018 . . . . 0.0 110.29 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.663 ' N ' ' CG ' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -57.41 -20.66 31.37 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.968 -1.082 . . . . 0.0 108.312 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.534 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -82.83 3.62 28.82 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 177.224 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.708 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 16.0 mt -100.86 -33.93 10.01 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.575 ' HB3' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -114.77 38.27 3.18 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 119.726 -0.79 . . . . 0.0 109.35 178.377 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.534 ' HE2' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -57.29 -11.52 1.83 Allowed 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 121.622 0.725 . . . . 0.0 109.57 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 168.68 -18.8 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -179.413 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 6' ' ' LEU . 4.0 m -77.84 12.88 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 O-C-N 121.683 -0.636 . . . . 0.0 110.944 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 13' ' ' ALA . 7.4 mt 43.58 63.14 1.65 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.036 -1.04 . . . . 0.0 109.049 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.575 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.5 OUTLIER 62.79 -69.54 0.06 Allowed 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.669 -0.644 . . . . 0.0 110.343 -179.094 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . 57.35 150.7 0.01 OUTLIER 'General case' 0 C--O 1.162 -3.514 0 O-C-N 121.148 -0.97 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.371 1 O-C-N 1.298 -75.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' DOA . . . . . 0.468 ' O ' ' CB ' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.605 ' CB ' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.526 3.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.443 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER -139.54 63.66 1.49 Allowed 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.037 -1.039 . . . . 0.0 110.084 179.101 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.605 ' CE2' ' HD2' ' A' ' 4' ' ' LYS . 10.1 p-90 -137.0 -43.26 0.57 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.15 -0.969 . . . . 0.0 111.298 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.605 ' HD2' ' CE2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -38.58 -27.4 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.118 0 O-C-N 121.67 -0.644 . . . . 0.0 110.935 -179.667 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.591 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 4.4 t -84.28 -44.91 13.38 Favored 'General case' 0 C--O 1.197 -1.683 0 O-C-N 121.19 -0.944 . . . . 0.0 109.427 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.536 ' N ' ' CG2' ' A' ' 5' ' ' THR . 5.0 mp -37.63 -36.35 0.17 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.966 -0.459 . . . . 0.0 111.186 179.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.6 ' HB3' ' HA ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -111.6 45.56 1.21 Allowed 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 122.197 0.998 . . . . 0.0 109.029 178.62 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.591 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -62.15 -12.85 21.94 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.544 -179.473 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.55 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 164.23 -29.99 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 -179.126 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.586 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 1.4 m -39.7 -89.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.278 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.659 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 1.3 pt? 172.74 50.05 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.6 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER 63.62 24.74 14.07 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -176.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.478 ' HB3' HD21 ' A' ' 11' ' ' LEU 0.375 . . -69.34 179.87 1.86 Allowed 'General case' 1 N--CA 1.553 4.692 1 CA-C-O 131.936 5.636 . . . . 0.0 101.917 -179.254 . . . . . . . . 5 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.427 3.958 2 O-C-N 50.591 -45.068 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' DOA . . . . . 0.605 ' O ' ' CB ' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.508 2.433 0 N-CA-C 110.614 -0.143 . . . . 0.0 110.614 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.48 52.77 0.74 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.59 -1.319 . . . . 0.0 110.619 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.795 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 6.5 p-90 -121.47 -38.09 2.82 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.366 -0.834 . . . . 0.0 111.13 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.524 ' HD2' ' CE2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -53.63 -25.62 18.58 Favored 'General case' 0 C--N 1.31 -1.139 0 O-C-N 120.851 -1.155 . . . . 0.0 109.62 179.334 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.543 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -88.46 12.14 15.14 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.968 -0.458 . . . . 0.0 110.329 178.463 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.795 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 15.1 mt -105.26 -38.88 6.37 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.765 ' HB3' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -115.91 43.77 2.05 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 177.813 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.543 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -55.99 -16.28 4.66 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.265 0.555 . . . . 0.0 110.328 179.623 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER 174.09 -21.94 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.262 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.486 ' HB ' ' HB2' ' A' ' 13' ' ' ALA . 15.6 m -71.94 12.77 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.711 -0.618 . . . . 0.0 112.232 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.0 mt 46.07 60.96 2.92 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.124 -0.985 . . . . 0.0 109.693 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.765 ' HD2' ' HB3' ' A' ' 7' ' ' LEU . 0.3 OUTLIER 62.58 91.3 0.07 Allowed 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 121.41 0.624 . . . . 0.0 110.906 -179.34 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.486 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . . . -164.8 102.29 0.79 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.594 -0.691 . . . . 0.0 109.915 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.637 -1.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' DOA . . . . . 0.526 ' C7 ' ' N ' ' A' ' 0' ' ' DOA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.51 2.57 0 CA-C-O 121.021 0.439 . . . . 0.0 111.734 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.455 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.5 OUTLIER 68.78 74.85 0.26 Allowed 'General case' 0 N--CA 1.501 2.093 0 CA-C-O 121.639 0.733 . . . . 0.0 109.036 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.599 ' O ' HD13 ' A' ' 7' ' ' LEU . 9.8 p-90 -147.58 -38.35 0.2 Allowed 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.397 -177.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.587 ' HD2' ' CE2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -42.91 -26.27 0.13 Allowed 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.52 -0.737 . . . . 0.0 110.597 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.553 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 10.6 t -82.65 -37.9 24.25 Favored 'General case' 0 C--O 1.195 -1.781 0 O-C-N 121.417 -0.802 . . . . 0.0 109.132 177.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.526 ' CD2' ' HA ' ' A' ' 3' ' ' TRP . 4.4 mp -47.12 -33.36 5.0 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 121.612 -0.68 . . . . 0.0 110.589 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.616 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -111.18 45.13 1.21 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 177.785 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.553 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -59.53 -11.47 4.74 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.262 179.161 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 18.4 ttpt 164.13 -20.56 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 m -71.81 3.24 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 O-C-N 121.902 -0.499 . . . . 0.0 111.027 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 mt 46.26 61.59 2.66 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.555 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.8 OUTLIER 48.37 96.94 0.01 OUTLIER 'General case' 0 C--O 1.197 -1.688 0 CA-C-O 122.404 1.097 . . . . 0.0 110.691 -177.702 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . 0.575 . . -104.25 161.72 13.8 Favored 'General case' 1 C--O 1.413 9.669 1 N-CA-C 93.603 -6.443 . . . . 0.0 93.603 172.226 . . . . . . . . 4 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.444 4.681 1 CA-C-N 106.389 -4.914 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' DOA . . . . . 0.535 ' O ' ' CB ' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.501 2.109 0 CA-C-O 121.384 0.612 . . . . 0.0 111.542 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.471 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER 76.23 54.03 0.05 Allowed 'General case' 0 N--CA 1.505 2.308 0 CA-C-O 121.201 0.524 . . . . 0.0 111.438 179.415 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.567 ' O ' HD12 ' A' ' 7' ' ' LEU . 22.7 p-90 -124.2 -42.54 2.12 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.261 -0.899 . . . . 0.0 109.955 178.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.665 ' HA ' HD23 ' A' ' 7' ' ' LEU . 1.1 ptmt -59.61 -19.9 52.14 Favored 'General case' 0 C--N 1.311 -1.087 0 O-C-N 121.431 -0.793 . . . . 0.0 110.06 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.658 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -87.25 6.24 34.23 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 177.076 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.582 HD13 HG23 ' A' ' 5' ' ' THR . 5.8 mp -103.01 -36.75 8.06 Favored 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.699 ' HB3' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -111.48 41.45 1.88 Allowed 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 177.299 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.658 ' HE2' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -59.88 -11.09 4.75 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.938 -0.476 . . . . 0.0 110.706 179.502 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 2.2 tmmt? 170.84 -22.12 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.147 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.511 ' HB ' ' HB1' ' A' ' 13' ' ' ALA . 4.8 m -76.81 4.7 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.804 -0.56 . . . . 0.0 111.709 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.444 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 10.9 mp 43.91 62.59 1.89 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.272 -0.892 . . . . 0.0 108.808 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.699 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 8.0 mmmm 51.12 82.87 0.05 Allowed 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 121.237 0.541 . . . . 0.0 111.031 -178.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.511 ' HB1' ' HB ' ' A' ' 10' ' ' VAL . . . -92.64 123.42 35.91 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.271 -0.893 . . . . 0.0 110.317 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.802 -1.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' DOA . . . . . 0.541 ' H71' ' N ' ' A' ' 0' ' ' DOA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.512 2.631 0 CA-C-O 120.962 0.41 . . . . 0.0 110.658 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.549 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER 81.08 60.22 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.214 0 CA-C-O 121.296 0.57 . . . . 0.0 111.406 179.601 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.737 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 32.8 p-90 -133.76 -41.77 0.84 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.969 -1.082 . . . . 0.0 111.131 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.668 ' N ' ' CG ' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -61.49 -16.11 44.26 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.047 -1.033 . . . . 0.0 108.719 -178.633 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.633 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -86.79 5.29 37.23 Favored 'General case' 0 C--O 1.211 -0.964 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 176.012 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.737 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 14.4 mt -101.48 -34.33 9.6 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.609 ' HB3' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -116.32 38.34 3.43 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.574 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.536 ' HE2' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -54.76 -18.53 4.82 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 121.749 0.785 . . . . 0.0 109.454 178.695 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.507 ' HG3' ' N ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER 177.81 -19.13 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.899 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.507 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 6.0 m -77.64 15.71 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 O-C-N 121.566 -0.709 . . . . 0.0 111.437 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.566 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 9.5 mp 43.67 64.74 1.16 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.44 -0.787 . . . . 0.0 109.13 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.609 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.3 OUTLIER 62.25 94.21 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -178.111 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . 0.285 . . -165.26 -1.29 0.03 OUTLIER 'General case' 1 C--O 1.318 4.681 0 N-CA-C 119.285 3.069 . . . . 0.0 119.285 -179.307 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.644 1 CA-C-N 107.222 -4.535 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' DOA . . . . . 0.533 ' O ' ' CB ' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.715 ' CB ' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.524 3.254 0 N-CA-C 110.867 -0.049 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 59.73 62.54 1.69 Allowed 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 -178.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.566 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 29.4 p-90 -126.37 -36.2 2.32 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.071 -177.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.574 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -59.43 -19.84 50.46 Favored 'General case' 0 C--N 1.309 -1.168 0 O-C-N 121.197 -0.939 . . . . 0.0 110.632 -178.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.624 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -88.74 12.52 14.72 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 176.683 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.578 ' CD1' HG22 ' A' ' 5' ' ' THR . 4.6 mp -107.33 -39.5 5.65 Favored 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.656 ' CB ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -114.12 34.13 4.85 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 177.456 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.624 ' HE2' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -71.81 -7.08 46.14 Favored 'General case' 0 N--CA 1.501 2.077 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.705 -178.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 2.6 ttpt -179.79 -24.26 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.64 -0.662 . . . . 0.0 109.77 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 6' ' ' LEU . 10.9 m -77.43 18.17 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.478 -0.763 . . . . 0.0 111.785 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.438 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 10.8 mp 45.37 63.08 1.9 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.176 -0.953 . . . . 0.0 110.331 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.656 ' HD2' ' CB ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER 62.03 89.06 0.08 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.828 -0.545 . . . . 0.0 110.867 -179.707 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -159.61 175.59 13.03 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.357 -0.839 . . . . 0.0 110.411 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 119.673 -1.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' DOA . . . . . 0.715 ' O ' ' CB ' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.726 ' CB ' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.525 3.304 0 CA-C-O 119.927 -0.082 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 59.71 59.86 2.39 Favored 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 -178.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.506 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 24.8 p-90 -122.73 -32.14 3.6 Favored 'General case' 0 N--CA 1.496 1.866 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.148 -177.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.59 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -63.54 -15.64 58.53 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 121.426 -0.796 . . . . 0.0 110.367 -179.273 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.653 HG22 ' CD1' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -94.73 12.38 28.04 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 176.57 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.674 ' CA ' ' HE2' ' A' ' 8' ' ' LYS . 6.8 mp -107.45 -32.96 7.51 Favored 'General case' 0 N--CA 1.508 2.437 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 178.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.643 ' HB3' ' CD ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -113.03 26.17 10.73 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.003 179.075 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.674 ' HE2' ' CA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -39.9 -35.98 0.41 Allowed 'General case' 0 N--CA 1.502 2.146 0 CA-C-O 121.974 0.892 . . . . 0.0 109.875 -179.184 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -175.55 23.23 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.02 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 6' ' ' LEU . 18.9 m -120.79 11.13 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 O-C-N 121.608 -0.683 . . . . 0.0 110.248 -178.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 11.0 mt 47.16 54.9 8.78 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -178.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.643 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER 67.73 -67.74 0.18 Allowed 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.976 -178.388 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.91 -94.28 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.587 -0.696 . . . . 0.0 110.755 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.135 0 O-C-N 119.251 -2.156 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' DOA . . . . . 0.726 ' O ' ' CB ' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.501 2.124 0 CA-C-O 121.66 0.743 . . . . 0.0 111.618 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 68.1 52.52 0.67 Allowed 'General case' 0 N--CA 1.504 2.231 0 CA-C-O 121.321 0.582 . . . . 0.0 111.818 178.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.791 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 15.9 p-90 -124.12 -29.67 3.56 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.416 -0.803 . . . . 0.0 110.329 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.64 ' HE3' ' CD1' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -71.45 1.0 7.02 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.599 0.714 . . . . 0.0 110.202 179.373 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.592 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -113.82 5.96 16.52 Favored 'General case' 0 C--O 1.199 -1.593 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.438 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.791 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 12.7 mt -96.05 -45.32 6.95 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.743 HD23 ' C ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -84.04 39.18 0.69 Allowed 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 114.577 -1.192 . . . . 0.0 110.143 177.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.592 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -47.81 -24.33 0.96 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 122.035 0.922 . . . . 0.0 110.39 -179.516 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 174.83 -19.55 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.278 -178.589 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.3 m -69.33 12.46 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.534 -0.729 . . . . 0.0 112.095 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.9 mt 46.98 59.5 3.97 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.903 . . . . 0.0 109.002 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.568 ' HD2' ' HB3' ' A' ' 7' ' ' LEU . 2.7 mmmm 62.42 95.17 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.365 0.602 . . . . 0.0 110.902 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.72 -52.85 0.12 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.444 -0.785 . . . . 0.0 110.432 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.256 0 O-C-N 119.639 -1.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' DOA . . . . . 0.519 ' H71' ' N ' ' A' ' 0' ' ' DOA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.57 ' CB ' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.501 2.104 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 65.52 89.16 0.1 Allowed 'General case' 0 N--CA 1.509 2.483 0 CA-C-O 121.885 0.85 . . . . 0.0 112.543 177.161 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.58 ' O ' HD13 ' A' ' 7' ' ' LEU . 10.4 p-90 -158.13 -34.18 0.07 Allowed 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.267 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.515 ' N ' ' CG ' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -45.74 -27.65 0.87 Allowed 'General case' 0 N--CA 1.484 1.227 0 O-C-N 121.077 -1.014 . . . . 0.0 110.821 -179.546 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.552 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 13.1 t -85.03 -33.57 22.49 Favored 'General case' 0 C--O 1.202 -1.444 0 O-C-N 121.559 -0.713 . . . . 0.0 109.191 177.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.558 ' O ' ' HE3' ' A' ' 8' ' ' LYS . 8.9 mp -51.82 -34.47 40.46 Favored 'General case' 0 N--CA 1.512 2.667 0 O-C-N 121.737 -0.602 . . . . 0.0 111.21 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.716 ' HB3' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -109.15 46.92 0.95 Allowed 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 177.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.558 ' HE3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -63.05 -15.44 56.53 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.274 179.795 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' HB3' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 174.57 -22.32 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 121.215 0.531 . . . . 0.0 109.634 -179.298 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.42 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 6.5 m -71.82 8.97 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.679 -0.638 . . . . 0.0 111.951 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 13.5 mt 46.09 58.13 4.69 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.162 -0.961 . . . . 0.0 108.998 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.716 ' HD2' ' HB3' ' A' ' 7' ' ' LEU . 0.7 OUTLIER 67.87 -64.02 0.3 Allowed 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -178.689 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 67.99 -73.82 0.08 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.605 -0.684 . . . . 0.0 110.767 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.25 0 O-C-N 119.293 -2.129 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' DOA . . . . . 0.57 ' O ' ' CB ' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.545 ' O ' ' CB ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.506 2.338 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.545 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER 78.64 57.74 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.331 0 CA-C-O 121.254 0.55 . . . . 0.0 111.786 179.414 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.642 ' CG ' ' N ' ' A' ' 4' ' ' LYS . 33.7 p-90 -127.68 -46.24 1.44 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.347 -0.845 . . . . 0.0 109.603 178.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.642 ' N ' ' CG ' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -56.11 -20.37 17.09 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.375 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.588 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -83.93 8.74 14.11 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 176.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.609 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 7.0 mp -110.42 -31.36 7.31 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.594 ' HB3' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -118.51 34.24 5.28 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.009 178.619 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.588 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -47.47 -19.77 0.19 Allowed 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.805 0.812 . . . . 0.0 109.689 178.218 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER 172.49 -16.33 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.568 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.501 HG11 ' NZ ' ' A' ' 8' ' ' LYS . 10.4 m -75.98 12.22 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.204 -1.335 0 O-C-N 121.519 -0.738 . . . . 0.0 111.208 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 8.7 mt 44.91 58.76 3.8 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.032 -1.042 . . . . 0.0 109.44 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.594 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.6 OUTLIER 65.41 8.41 4.98 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.641 -0.662 . . . . 0.0 111.558 -177.579 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 10' ' ' VAL 0.573 . . -86.39 -138.97 0.09 Allowed 'General case' 1 C--O 1.35 6.361 0 N-CA-C 118.353 2.723 . . . . 0.0 118.353 -178.237 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.419 3.6 1 CA-C-N 105.67 -5.241 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' DOA . . . . . 0.484 ' O ' ' CB ' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.508 2.458 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.951 ' CE3' HD11 ' A' ' 7' ' ' LEU . 12.1 p-90 -134.13 -42.25 0.81 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.001 -1.062 . . . . 0.0 110.212 177.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.637 ' HD2' ' CE2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -46.88 -26.01 0.89 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.84 -1.162 . . . . 0.0 109.581 178.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.533 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -87.53 8.19 26.13 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.765 -0.584 . . . . 0.0 110.465 179.321 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.722 ' HG ' ' HA ' ' A' ' 3' ' ' TRP . 14.7 mt -101.61 -33.13 10.03 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.951 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -116.62 39.46 3.16 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 177.561 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.549 ' HE3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -56.61 -12.33 1.75 Allowed 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 121.489 0.661 . . . . 0.0 109.694 179.077 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.501 ' O ' ' CE ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 169.06 -18.53 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 -179.609 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.438 HG11 ' NZ ' ' A' ' 8' ' ' LYS . 3.8 m -77.9 14.19 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 O-C-N 121.582 -0.699 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.482 ' N ' HD23 ' A' ' 11' ' ' LEU . 7.8 mt 44.25 66.64 0.81 Allowed 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.038 -1.039 . . . . 0.0 109.089 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.611 ' CE ' HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.306 -1.307 0 O-C-N 121.686 -0.634 . . . . 0.0 110.434 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.484 ' HA ' HD22 ' A' ' 2' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.505 2.303 0 CA-C-O 121.056 0.455 . . . . 0.0 112.056 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 1.029 ' CE3' HD11 ' A' ' 7' ' ' LEU . 30.4 p-90 -132.91 -43.4 0.89 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.181 -0.949 . . . . 0.0 110.243 178.334 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.682 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -57.9 -20.08 34.49 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.001 -1.062 . . . . 0.0 108.6 179.852 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.512 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -83.78 4.81 27.4 Favored 'General case' 0 C--O 1.208 -1.105 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 176.622 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.759 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 16.7 mt -101.77 -33.61 9.77 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 178.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.029 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -114.71 39.23 2.89 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 121.638 0.732 . . . . 0.0 109.046 178.007 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.559 ' HE3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -57.96 -10.28 1.72 Allowed 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.512 -0.742 . . . . 0.0 109.984 179.022 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 167.58 -18.6 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.49 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 6' ' ' LEU . 4.6 m -77.66 12.76 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.204 -1.305 0 O-C-N 121.603 -0.686 . . . . 0.0 110.856 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.487 ' N ' HD23 ' A' ' 11' ' ' LEU . 7.6 mt 44.15 64.36 1.33 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.94 -1.1 . . . . 0.0 109.528 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.611 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.482 0 O-C-N 121.565 -0.709 . . . . 0.0 111.316 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 121.264 0.554 . . . . 0.0 109.794 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.855 ' HA ' ' HG ' ' A' ' 6' ' ' LEU . 8.3 p-90 -136.36 -45.89 0.62 Allowed 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 118.904 -1.118 . . . . 0.0 111.749 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.658 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -38.05 -28.16 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 O-C-N 121.531 -0.73 . . . . 0.0 111.705 -179.326 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.551 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 3.4 t -82.77 -45.38 14.44 Favored 'General case' 0 C--O 1.194 -1.854 0 O-C-N 121.229 -0.92 . . . . 0.0 109.72 178.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.855 ' HG ' ' HA ' ' A' ' 3' ' ' TRP . 8.8 mt -39.43 -37.29 0.45 Allowed 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.854 -0.529 . . . . 0.0 110.447 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.865 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -107.67 42.98 1.25 Allowed 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.801 0.81 . . . . 0.0 109.005 178.187 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.551 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -62.86 -8.26 6.64 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.874 -0.516 . . . . 0.0 110.189 179.363 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 4.2 ttpt 165.48 -19.55 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 -179.459 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' A' ' 6' ' ' LEU . 6.0 m -75.2 10.98 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 O-C-N 121.629 -0.669 . . . . 0.0 111.106 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' N ' HD23 ' A' ' 11' ' ' LEU . 7.7 mt 45.06 57.88 4.42 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.978 -1.076 . . . . 0.0 109.428 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.818 ' HD2' HD12 ' A' ' 7' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.836 -0.54 . . . . 0.0 111.581 -178.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.487 ' HA ' HD22 ' A' ' 2' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.506 2.328 0 CA-C-O 121.438 0.637 . . . . 0.0 111.384 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.909 ' CE3' HD11 ' A' ' 7' ' ' LEU . 24.8 p-90 -129.99 -37.96 1.47 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.471 -0.768 . . . . 0.0 110.457 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.601 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -62.21 -19.72 63.44 Favored 'General case' 0 C--N 1.308 -1.207 0 O-C-N 121.147 -0.971 . . . . 0.0 109.521 -179.688 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.625 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -87.23 7.97 26.09 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 176.321 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.81 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 14.8 mt -102.11 -37.57 8.1 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.909 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -115.38 41.25 2.51 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.72 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.625 ' HE2' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -59.62 -12.09 6.08 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.841 -0.537 . . . . 0.0 111.0 179.568 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 15.4 ttpt 171.87 -23.45 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.063 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.7 m -72.92 7.71 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.76 -0.588 . . . . 0.0 112.142 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 12.9 mt 46.72 58.96 4.23 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.111 -0.993 . . . . 0.0 108.787 -178.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.776 ' HD2' ' HB3' ' A' ' 7' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.787 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.724 -178.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.505 2.304 0 CA-C-O 121.102 0.477 . . . . 0.0 112.045 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 1.054 ' CE3' HD11 ' A' ' 7' ' ' LEU . 31.1 p-90 -132.74 -43.92 0.89 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.072 -1.018 . . . . 0.0 110.29 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.705 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -57.41 -20.66 31.37 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.968 -1.082 . . . . 0.0 108.312 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.53 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -82.83 3.62 28.82 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 177.224 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.742 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 16.0 mt -100.86 -33.93 10.01 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.007 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.054 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -114.77 38.27 3.18 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 119.726 -0.79 . . . . 0.0 109.35 178.377 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.573 ' HE3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -57.29 -11.52 1.83 Allowed 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 121.622 0.725 . . . . 0.0 109.57 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 168.68 -18.8 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -179.413 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 6' ' ' LEU . 4.0 m -77.84 12.88 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 O-C-N 121.683 -0.636 . . . . 0.0 110.944 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.5 ' N ' HD23 ' A' ' 11' ' ' LEU . 7.4 mt 43.58 63.14 1.65 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.036 -1.04 . . . . 0.0 109.049 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.593 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.305 -1.341 0 O-C-N 121.669 -0.644 . . . . 0.0 110.343 -179.094 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.498 ' HA ' HD22 ' A' ' 2' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 121.262 0.553 . . . . 0.0 110.084 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.914 ' HA ' HD22 ' A' ' 6' ' ' LEU . 10.1 p-90 -137.0 -43.26 0.57 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.15 -0.969 . . . . 0.0 111.298 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.628 ' HD2' ' CE2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -38.58 -27.4 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.118 0 O-C-N 121.67 -0.644 . . . . 0.0 110.935 -179.667 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.591 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 4.4 t -84.28 -44.91 13.38 Favored 'General case' 0 C--O 1.197 -1.683 0 O-C-N 121.19 -0.944 . . . . 0.0 109.427 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.914 HD22 ' HA ' ' A' ' 3' ' ' TRP . 5.0 mp -37.63 -36.35 0.17 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.966 -0.459 . . . . 0.0 111.186 179.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.828 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -111.6 45.56 1.21 Allowed 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 122.197 0.998 . . . . 0.0 109.029 178.62 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.591 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -62.15 -12.85 21.94 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.544 -179.473 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 164.23 -29.99 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 -179.126 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.707 HG23 ' H ' ' A' ' 11' ' ' LEU . 1.4 m -39.7 -89.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.278 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.784 ' N ' HD23 ' A' ' 11' ' ' LEU . 1.3 pt? 172.74 50.05 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.57 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -176.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.499 1.998 0 CA-C-O 121.025 0.44 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.816 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 6.5 p-90 -121.47 -38.09 2.82 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.366 -0.834 . . . . 0.0 111.13 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.551 ' HD2' ' CE2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -53.63 -25.62 18.58 Favored 'General case' 0 C--N 1.31 -1.139 0 O-C-N 120.851 -1.155 . . . . 0.0 109.62 179.334 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 5' ' ' THR . 0.4 OUTLIER -88.46 12.14 15.14 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.968 -0.458 . . . . 0.0 110.329 178.463 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.816 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 15.1 mt -105.26 -38.88 6.37 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.815 HD13 ' HB2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -115.91 43.77 2.05 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 177.813 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.556 ' HE3' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -55.99 -16.28 4.66 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.265 0.555 . . . . 0.0 110.328 179.623 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER 174.09 -21.94 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.262 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.6 m -71.94 12.77 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.711 -0.618 . . . . 0.0 112.232 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.0 mt 46.07 60.96 2.92 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.124 -0.985 . . . . 0.0 109.693 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.809 ' HD2' ' HB3' ' A' ' 7' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 121.41 0.624 . . . . 0.0 110.906 -179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.468 HD13 ' C ' ' A' ' 2' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.501 2.093 0 CA-C-O 121.639 0.733 . . . . 0.0 109.036 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.945 ' HA ' HD22 ' A' ' 6' ' ' LEU . 9.8 p-90 -147.58 -38.35 0.2 Allowed 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.397 -177.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.715 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -42.91 -26.27 0.13 Allowed 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.52 -0.737 . . . . 0.0 110.597 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.574 HG23 HD12 ' A' ' 6' ' ' LEU . 10.6 t -82.65 -37.9 24.25 Favored 'General case' 0 C--O 1.195 -1.781 0 O-C-N 121.417 -0.802 . . . . 0.0 109.132 177.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.945 HD22 ' HA ' ' A' ' 3' ' ' TRP . 4.4 mp -47.12 -33.36 5.0 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 121.612 -0.68 . . . . 0.0 110.589 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.012 HD12 ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -111.18 45.13 1.21 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 177.785 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.553 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -59.53 -11.47 4.74 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.262 179.161 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 18.4 ttpt 164.13 -20.56 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.417 ' H ' HG13 ' A' ' 10' ' ' VAL . 3.2 m -71.81 3.24 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 O-C-N 121.902 -0.499 . . . . 0.0 111.027 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.539 ' N ' HD23 ' A' ' 11' ' ' LEU . 6.4 mt 46.26 61.59 2.66 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 1.012 ' CD ' HD12 ' A' ' 7' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.197 -1.688 0 CA-C-O 122.404 1.097 . . . . 0.0 110.691 -177.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.505 2.308 0 CA-C-O 121.201 0.524 . . . . 0.0 111.438 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.994 ' CE3' HD11 ' A' ' 7' ' ' LEU . 22.7 p-90 -124.2 -42.54 2.12 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.261 -0.899 . . . . 0.0 109.955 178.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.7 ' HA ' HD21 ' A' ' 7' ' ' LEU . 1.1 ptmt -59.61 -19.9 52.14 Favored 'General case' 0 C--N 1.311 -1.087 0 O-C-N 121.431 -0.793 . . . . 0.0 110.06 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.649 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -87.25 6.24 34.23 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 177.076 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.85 HD22 ' HA ' ' A' ' 3' ' ' TRP . 5.8 mp -103.01 -36.75 8.06 Favored 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.994 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -111.48 41.45 1.88 Allowed 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 177.299 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.649 ' HE2' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -59.88 -11.09 4.75 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.938 -0.476 . . . . 0.0 110.706 179.502 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 2.2 tmmt? 170.84 -22.12 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.147 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 m -76.81 4.7 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.804 -0.56 . . . . 0.0 111.709 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 11' ' ' LEU . 10.9 mp 43.91 62.59 1.89 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.272 -0.892 . . . . 0.0 108.808 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.951 ' HD3' HD12 ' A' ' 7' ' ' LEU . 8.0 mmmm . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 121.237 0.541 . . . . 0.0 111.031 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.503 2.214 0 CA-C-O 121.296 0.57 . . . . 0.0 111.406 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 1.068 ' CE3' HD11 ' A' ' 7' ' ' LEU . 32.8 p-90 -133.76 -41.77 0.84 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.969 -1.082 . . . . 0.0 111.131 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.668 ' N ' ' CG ' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -61.49 -16.11 44.26 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.047 -1.033 . . . . 0.0 108.719 -178.633 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.624 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -86.79 5.29 37.23 Favored 'General case' 0 C--O 1.211 -0.964 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 176.012 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.752 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 14.4 mt -101.48 -34.33 9.6 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.068 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -116.32 38.34 3.43 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.574 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.559 ' HE3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -54.76 -18.53 4.82 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 121.749 0.785 . . . . 0.0 109.454 178.695 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.497 ' HG3' ' N ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER 177.81 -19.13 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.899 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.497 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 6.0 m -77.64 15.71 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 O-C-N 121.566 -0.709 . . . . 0.0 111.437 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.678 HD12 ' N ' ' A' ' 11' ' ' LEU . 9.5 mp 43.67 64.74 1.16 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.44 -0.787 . . . . 0.0 109.13 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.623 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -178.111 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.505 2.322 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.961 ' HA ' HD22 ' A' ' 6' ' ' LEU . 29.4 p-90 -126.37 -36.2 2.32 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.071 -177.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.659 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -59.43 -19.84 50.46 Favored 'General case' 0 C--N 1.309 -1.168 0 O-C-N 121.197 -0.939 . . . . 0.0 110.632 -178.914 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.615 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -88.74 12.52 14.72 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 176.683 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.961 HD22 ' HA ' ' A' ' 3' ' ' TRP . 4.6 mp -107.33 -39.5 5.65 Favored 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.861 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -114.12 34.13 4.85 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 177.456 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.615 ' HE2' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -71.81 -7.08 46.14 Favored 'General case' 0 N--CA 1.501 2.077 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.705 -178.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 2.6 ttpt -179.79 -24.26 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.64 -0.662 . . . . 0.0 109.77 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 6' ' ' LEU . 10.9 m -77.43 18.17 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.478 -0.763 . . . . 0.0 111.785 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 11' ' ' LEU . 10.8 mp 45.37 63.08 1.9 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.176 -0.953 . . . . 0.0 110.331 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.665 ' HE3' ' HG ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.498 1.971 0 O-C-N 121.828 -0.545 . . . . 0.0 110.867 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.41 ' HA ' HD22 ' A' ' 2' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.505 2.286 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.784 ' HA ' HD22 ' A' ' 6' ' ' LEU . 24.8 p-90 -122.73 -32.14 3.6 Favored 'General case' 0 N--CA 1.496 1.866 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.148 -177.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.67 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -63.54 -15.64 58.53 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 121.426 -0.796 . . . . 0.0 110.367 -179.273 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.595 HG22 ' CD1' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -94.73 12.38 28.04 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 176.57 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.784 HD22 ' HA ' ' A' ' 3' ' ' TRP . 6.8 mp -107.45 -32.96 7.51 Favored 'General case' 0 N--CA 1.508 2.437 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 178.506 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.67 ' CD2' ' HA ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -113.03 26.17 10.73 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.003 179.075 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.69 ' HE2' ' CA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -39.9 -35.98 0.41 Allowed 'General case' 0 N--CA 1.502 2.146 0 CA-C-O 121.974 0.892 . . . . 0.0 109.875 -179.184 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -175.55 23.23 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.02 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 6' ' ' LEU . 18.9 m -120.79 11.13 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 O-C-N 121.608 -0.683 . . . . 0.0 110.248 -178.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 11.0 mt 47.16 54.9 8.78 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -178.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.669 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.976 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.504 2.231 0 CA-C-O 121.321 0.582 . . . . 0.0 111.818 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.805 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 15.9 p-90 -124.12 -29.67 3.56 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.416 -0.803 . . . . 0.0 110.329 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.657 ' HE3' ' CD1' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -71.45 1.0 7.02 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.599 0.714 . . . . 0.0 110.202 179.373 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.592 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -113.82 5.96 16.52 Favored 'General case' 0 C--O 1.199 -1.593 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.438 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.805 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 12.7 mt -96.05 -45.32 6.95 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.807 ' C ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -84.04 39.18 0.69 Allowed 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 114.577 -1.192 . . . . 0.0 110.143 177.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.592 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -47.81 -24.33 0.96 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 122.035 0.922 . . . . 0.0 110.39 -179.516 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 174.83 -19.55 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.278 -178.589 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.3 m -69.33 12.46 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.534 -0.729 . . . . 0.0 112.095 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.9 mt 46.98 59.5 3.97 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.903 . . . . 0.0 109.002 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.61 ' HD2' ' HB3' ' A' ' 7' ' ' LEU . 2.7 mmmm . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.365 0.602 . . . . 0.0 110.902 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 2' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.509 2.483 0 CA-C-O 121.885 0.85 . . . . 0.0 112.543 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.646 ' HA ' HD22 ' A' ' 6' ' ' LEU . 10.4 p-90 -158.13 -34.18 0.07 Allowed 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.267 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.584 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -45.74 -27.65 0.87 Allowed 'General case' 0 N--CA 1.484 1.227 0 O-C-N 121.077 -1.014 . . . . 0.0 110.821 -179.546 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.578 HG23 HD12 ' A' ' 6' ' ' LEU . 13.1 t -85.03 -33.57 22.49 Favored 'General case' 0 C--O 1.202 -1.444 0 O-C-N 121.559 -0.713 . . . . 0.0 109.191 177.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.646 HD22 ' HA ' ' A' ' 3' ' ' TRP . 8.9 mp -51.82 -34.47 40.46 Favored 'General case' 0 N--CA 1.512 2.667 0 O-C-N 121.737 -0.602 . . . . 0.0 111.21 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.806 ' H ' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -109.15 46.92 0.95 Allowed 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 177.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.58 ' HE3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -63.05 -15.44 56.53 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.274 179.795 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 174.57 -22.32 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 121.215 0.531 . . . . 0.0 109.634 -179.298 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.423 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 6.5 m -71.82 8.97 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.679 -0.638 . . . . 0.0 111.951 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.467 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 13.5 mt 46.09 58.13 4.69 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.162 -0.961 . . . . 0.0 108.998 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.753 ' HD2' ' HB3' ' A' ' 7' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.496 1.835 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -178.689 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.407 ' HA ' HD22 ' A' ' 2' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.506 2.331 0 CA-C-O 121.254 0.55 . . . . 0.0 111.786 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.968 ' CE3' HD11 ' A' ' 7' ' ' LEU . 33.7 p-90 -127.68 -46.24 1.44 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.347 -0.845 . . . . 0.0 109.603 178.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.808 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -56.11 -20.37 17.09 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.375 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.768 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -83.93 8.74 14.11 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 176.929 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.768 HD12 ' C ' ' A' ' 5' ' ' THR . 7.0 mp -110.42 -31.36 7.31 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.968 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -118.51 34.24 5.28 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.009 178.619 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.588 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -47.47 -19.77 0.19 Allowed 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.805 0.812 . . . . 0.0 109.689 178.218 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER 172.49 -16.33 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.568 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 6' ' ' LEU . 10.4 m -75.98 12.22 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.204 -1.335 0 O-C-N 121.519 -0.738 . . . . 0.0 111.208 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.45 ' N ' HD23 ' A' ' 11' ' ' LEU . 8.7 mt 44.91 58.76 3.8 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.032 -1.042 . . . . 0.0 109.44 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.608 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.488 1.433 0 O-C-N 121.641 -0.662 . . . . 0.0 111.558 -177.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.62 ' O ' ' CB ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.5 2.029 0 CA-C-O 120.473 0.178 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.62 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER 89.65 52.72 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.458 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.951 ' CE3' HD11 ' A' ' 7' ' ' LEU . 12.1 p-90 -134.13 -42.25 0.81 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.001 -1.062 . . . . 0.0 110.212 177.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.637 ' HD2' ' CE2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -46.88 -26.01 0.89 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.84 -1.162 . . . . 0.0 109.581 178.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.533 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -87.53 8.19 26.13 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.765 -0.584 . . . . 0.0 110.465 179.321 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.722 ' HG ' ' HA ' ' A' ' 3' ' ' TRP . 14.7 mt -101.61 -33.13 10.03 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.951 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -116.62 39.46 3.16 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 177.561 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.549 ' HE3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -56.61 -12.33 1.75 Allowed 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 121.489 0.661 . . . . 0.0 109.694 179.077 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.501 ' O ' ' CE ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 169.06 -18.53 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 -179.609 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.809 ' CG2' ' HB3' ' A' ' 13' ' ' ALA . 3.8 m -77.9 14.19 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 O-C-N 121.582 -0.699 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.482 ' N ' HD23 ' A' ' 11' ' ' LEU . 7.8 mt 44.25 66.64 0.81 Allowed 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.038 -1.039 . . . . 0.0 109.089 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.611 ' CE ' HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER 57.8 96.44 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.686 -0.634 . . . . 0.0 110.434 -178.794 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.809 ' HB3' ' CG2' ' A' ' 10' ' ' VAL . . . -158.21 169.22 25.01 Favored 'General case' 2 C--O 1.086 -7.506 0 N-CA-C 118.013 2.597 . . . . 0.0 118.013 -178.656 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.147 -8.231 1 O-C-N 101.023 -13.548 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' DOA . . . . . 0.59 ' O ' ' HB3' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.74 ' HB3' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.513 2.678 0 CA-C-O 120.626 0.251 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.564 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER 81.82 59.52 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.303 0 CA-C-O 121.056 0.455 . . . . 0.0 112.056 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.029 ' CE3' HD11 ' A' ' 7' ' ' LEU . 30.4 p-90 -132.91 -43.4 0.89 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.181 -0.949 . . . . 0.0 110.243 178.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.682 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -57.9 -20.08 34.49 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.001 -1.062 . . . . 0.0 108.6 179.852 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.512 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -83.78 4.81 27.4 Favored 'General case' 0 C--O 1.208 -1.105 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 176.622 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.759 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 16.7 mt -101.77 -33.61 9.77 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 178.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.029 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -114.71 39.23 2.89 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 121.638 0.732 . . . . 0.0 109.046 178.007 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.559 ' HE3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -57.96 -10.28 1.72 Allowed 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.512 -0.742 . . . . 0.0 109.984 179.022 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 167.58 -18.6 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.49 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.782 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 4.6 m -77.66 12.76 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.204 -1.305 0 O-C-N 121.603 -0.686 . . . . 0.0 110.856 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.487 ' N ' HD23 ' A' ' 11' ' ' LEU . 7.6 mt 44.15 64.36 1.33 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.94 -1.1 . . . . 0.0 109.528 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.611 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.4 OUTLIER 58.56 14.19 2.93 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.565 -0.709 . . . . 0.0 111.316 -178.649 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' A' ' 10' ' ' VAL . . . -116.9 119.04 34.13 Favored 'General case' 0 N--CA 1.537 3.889 1 N-CA-C 123.977 4.806 . . . . 0.0 123.977 -179.372 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.124 -9.239 1 O-C-N 114.473 -5.142 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' DOA . . . . . 0.74 ' O ' ' HB3' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.795 ' HB3' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.529 3.503 0 N-CA-C 110.606 -0.146 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER -135.06 63.84 1.61 Allowed 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.136 -0.977 . . . . 0.0 109.794 178.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.855 ' HA ' ' HG ' ' A' ' 6' ' ' LEU . 8.3 p-90 -136.36 -45.89 0.62 Allowed 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 118.904 -1.118 . . . . 0.0 111.749 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.658 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -38.05 -28.16 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 O-C-N 121.531 -0.73 . . . . 0.0 111.705 -179.326 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.551 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 3.4 t -82.77 -45.38 14.44 Favored 'General case' 0 C--O 1.194 -1.854 0 O-C-N 121.229 -0.92 . . . . 0.0 109.72 178.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.855 ' HG ' ' HA ' ' A' ' 3' ' ' TRP . 8.8 mt -39.43 -37.29 0.45 Allowed 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.854 -0.529 . . . . 0.0 110.447 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.865 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -107.67 42.98 1.25 Allowed 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.801 0.81 . . . . 0.0 109.005 178.187 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.551 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -62.86 -8.26 6.64 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.874 -0.516 . . . . 0.0 110.189 179.363 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 4.2 ttpt 165.48 -19.55 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 -179.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.63 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 6.0 m -75.2 10.98 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 O-C-N 121.629 -0.669 . . . . 0.0 111.106 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' N ' HD23 ' A' ' 11' ' ' LEU . 7.7 mt 45.06 57.88 4.42 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.978 -1.076 . . . . 0.0 109.428 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.818 ' HD2' HD12 ' A' ' 7' ' ' LEU . 0.6 OUTLIER 65.12 8.47 4.81 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.836 -0.54 . . . . 0.0 111.581 -178.744 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 10' ' ' VAL . . . -102.72 67.45 0.98 Allowed 'General case' 0 N--CA 1.518 2.967 1 N-CA-C 122.324 4.194 . . . . 0.0 122.324 -176.759 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.228 -4.7 1 O-C-N 110.677 -7.514 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' DOA . . . . . 0.795 ' O ' ' HB3' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.503 2.215 0 CA-C-O 121.171 0.51 . . . . 0.0 111.376 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.487 ' HA ' HD22 ' A' ' 2' ' ' LEU . 0.2 OUTLIER 75.68 57.93 0.06 Allowed 'General case' 0 N--CA 1.506 2.328 0 CA-C-O 121.438 0.637 . . . . 0.0 111.384 179.043 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.909 ' CE3' HD11 ' A' ' 7' ' ' LEU . 24.8 p-90 -129.99 -37.96 1.47 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.471 -0.768 . . . . 0.0 110.457 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.601 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -62.21 -19.72 63.44 Favored 'General case' 0 C--N 1.308 -1.207 0 O-C-N 121.147 -0.971 . . . . 0.0 109.521 -179.688 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.625 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -87.23 7.97 26.09 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 176.321 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.81 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 14.8 mt -102.11 -37.57 8.1 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.909 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -115.38 41.25 2.51 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.72 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.625 ' HE2' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -59.62 -12.09 6.08 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.841 -0.537 . . . . 0.0 111.0 179.568 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 15.4 ttpt 171.87 -23.45 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.063 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.7 m -72.92 7.71 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.76 -0.588 . . . . 0.0 112.142 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 12.9 mt 46.72 58.96 4.23 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.111 -0.993 . . . . 0.0 108.787 -178.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.776 ' HD2' ' HB3' ' A' ' 7' ' ' LEU . 0.4 OUTLIER 68.28 -68.0 0.18 Allowed 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.724 -178.65 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 12' ' ' LYS . . . 63.23 99.64 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.565 -0.709 . . . . 0.0 110.654 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.723 -1.861 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' DOA . . . . . 0.607 ' O ' ' HB3' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.498 1.96 0 CA-C-O 121.276 0.56 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.577 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER 82.06 59.55 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.304 0 CA-C-O 121.102 0.477 . . . . 0.0 112.045 178.673 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.054 ' CE3' HD11 ' A' ' 7' ' ' LEU . 31.1 p-90 -132.74 -43.92 0.89 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.072 -1.018 . . . . 0.0 110.29 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.705 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -57.41 -20.66 31.37 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.968 -1.082 . . . . 0.0 108.312 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.53 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -82.83 3.62 28.82 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 177.224 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.742 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 16.0 mt -100.86 -33.93 10.01 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.007 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.054 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -114.77 38.27 3.18 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 119.726 -0.79 . . . . 0.0 109.35 178.377 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.573 ' HE3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -57.29 -11.52 1.83 Allowed 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 121.622 0.725 . . . . 0.0 109.57 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 168.68 -18.8 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -179.413 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 6' ' ' LEU . 4.0 m -77.84 12.88 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 O-C-N 121.683 -0.636 . . . . 0.0 110.944 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 13' ' ' ALA . 7.4 mt 43.58 63.14 1.65 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.036 -1.04 . . . . 0.0 109.049 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.593 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.5 OUTLIER 62.79 -69.54 0.06 Allowed 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.669 -0.644 . . . . 0.0 110.343 -179.094 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . 57.35 150.7 0.01 OUTLIER 'General case' 0 C--O 1.162 -3.514 0 O-C-N 121.148 -0.97 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.371 1 O-C-N 1.298 -75.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' DOA . . . . . 0.717 ' O ' ' HB3' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.815 ' HB3' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.526 3.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.498 ' HA ' HD22 ' A' ' 2' ' ' LEU . 0.6 OUTLIER -139.54 63.66 1.49 Allowed 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.037 -1.039 . . . . 0.0 110.084 179.101 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.914 ' HA ' HD22 ' A' ' 6' ' ' LEU . 10.1 p-90 -137.0 -43.26 0.57 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.15 -0.969 . . . . 0.0 111.298 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.628 ' HD2' ' CE2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -38.58 -27.4 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.118 0 O-C-N 121.67 -0.644 . . . . 0.0 110.935 -179.667 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.591 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 4.4 t -84.28 -44.91 13.38 Favored 'General case' 0 C--O 1.197 -1.683 0 O-C-N 121.19 -0.944 . . . . 0.0 109.427 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.914 HD22 ' HA ' ' A' ' 3' ' ' TRP . 5.0 mp -37.63 -36.35 0.17 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.966 -0.459 . . . . 0.0 111.186 179.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.828 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -111.6 45.56 1.21 Allowed 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 122.197 0.998 . . . . 0.0 109.029 178.62 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.591 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -62.15 -12.85 21.94 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.544 -179.473 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 164.23 -29.99 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 -179.126 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.707 HG23 ' H ' ' A' ' 11' ' ' LEU . 1.4 m -39.7 -89.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.278 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.897 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 1.3 pt? 172.74 50.05 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.57 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER 63.62 24.74 14.07 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -176.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.897 ' HB2' ' CD2' ' A' ' 11' ' ' LEU 0.375 . . -69.34 179.87 1.86 Allowed 'General case' 1 N--CA 1.553 4.692 1 CA-C-O 131.936 5.636 . . . . 0.0 101.917 -179.254 . . . . . . . . 5 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.427 3.958 2 O-C-N 50.591 -45.068 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' DOA . . . . . 0.815 ' O ' ' HB3' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.508 2.433 0 N-CA-C 110.614 -0.143 . . . . 0.0 110.614 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.48 52.77 0.74 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.59 -1.319 . . . . 0.0 110.619 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.816 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 6.5 p-90 -121.47 -38.09 2.82 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.366 -0.834 . . . . 0.0 111.13 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.551 ' HD2' ' CE2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -53.63 -25.62 18.58 Favored 'General case' 0 C--N 1.31 -1.139 0 O-C-N 120.851 -1.155 . . . . 0.0 109.62 179.334 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 5' ' ' THR . 0.4 OUTLIER -88.46 12.14 15.14 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.968 -0.458 . . . . 0.0 110.329 178.463 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.816 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 15.1 mt -105.26 -38.88 6.37 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.815 HD13 ' HB2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -115.91 43.77 2.05 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 177.813 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.556 ' HE3' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -55.99 -16.28 4.66 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.265 0.555 . . . . 0.0 110.328 179.623 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER 174.09 -21.94 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.262 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.61 ' HB ' ' HB3' ' A' ' 13' ' ' ALA . 15.6 m -71.94 12.77 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.711 -0.618 . . . . 0.0 112.232 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.0 mt 46.07 60.96 2.92 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.124 -0.985 . . . . 0.0 109.693 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.809 ' HD2' ' HB3' ' A' ' 7' ' ' LEU . 0.3 OUTLIER 62.58 91.3 0.07 Allowed 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 121.41 0.624 . . . . 0.0 110.906 -179.34 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.61 ' HB3' ' HB ' ' A' ' 10' ' ' VAL . . . -164.8 102.29 0.79 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.594 -0.691 . . . . 0.0 109.915 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.637 -1.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' DOA . . . . . 0.755 ' O ' ' HB3' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.772 ' HB3' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.51 2.57 0 CA-C-O 121.021 0.439 . . . . 0.0 111.734 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.468 HD13 ' C ' ' A' ' 2' ' ' LEU . 0.5 OUTLIER 68.78 74.85 0.26 Allowed 'General case' 0 N--CA 1.501 2.093 0 CA-C-O 121.639 0.733 . . . . 0.0 109.036 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.945 ' HA ' HD22 ' A' ' 6' ' ' LEU . 9.8 p-90 -147.58 -38.35 0.2 Allowed 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.397 -177.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.715 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -42.91 -26.27 0.13 Allowed 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.52 -0.737 . . . . 0.0 110.597 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.574 HG23 HD12 ' A' ' 6' ' ' LEU . 10.6 t -82.65 -37.9 24.25 Favored 'General case' 0 C--O 1.195 -1.781 0 O-C-N 121.417 -0.802 . . . . 0.0 109.132 177.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.945 HD22 ' HA ' ' A' ' 3' ' ' TRP . 4.4 mp -47.12 -33.36 5.0 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 121.612 -0.68 . . . . 0.0 110.589 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.012 HD12 ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -111.18 45.13 1.21 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 177.785 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.553 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -59.53 -11.47 4.74 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.262 179.161 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 18.4 ttpt 164.13 -20.56 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.417 ' H ' HG13 ' A' ' 10' ' ' VAL . 3.2 m -71.81 3.24 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 O-C-N 121.902 -0.499 . . . . 0.0 111.027 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.539 ' N ' HD23 ' A' ' 11' ' ' LEU . 6.4 mt 46.26 61.59 2.66 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 1.012 ' CD ' HD12 ' A' ' 7' ' ' LEU . 0.8 OUTLIER 48.37 96.94 0.01 OUTLIER 'General case' 0 C--O 1.197 -1.688 0 CA-C-O 122.404 1.097 . . . . 0.0 110.691 -177.702 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . 0.575 . . -104.25 161.72 13.8 Favored 'General case' 1 C--O 1.413 9.669 1 N-CA-C 93.603 -6.443 . . . . 0.0 93.603 172.226 . . . . . . . . 4 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.444 4.681 1 CA-C-N 106.389 -4.914 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' DOA . . . . . 0.772 ' O ' ' HB3' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.501 2.109 0 CA-C-O 121.384 0.612 . . . . 0.0 111.542 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.471 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER 76.23 54.03 0.05 Allowed 'General case' 0 N--CA 1.505 2.308 0 CA-C-O 121.201 0.524 . . . . 0.0 111.438 179.415 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.994 ' CE3' HD11 ' A' ' 7' ' ' LEU . 22.7 p-90 -124.2 -42.54 2.12 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.261 -0.899 . . . . 0.0 109.955 178.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.7 ' HA ' HD21 ' A' ' 7' ' ' LEU . 1.1 ptmt -59.61 -19.9 52.14 Favored 'General case' 0 C--N 1.311 -1.087 0 O-C-N 121.431 -0.793 . . . . 0.0 110.06 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.649 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -87.25 6.24 34.23 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 177.076 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.85 HD22 ' HA ' ' A' ' 3' ' ' TRP . 5.8 mp -103.01 -36.75 8.06 Favored 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.994 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -111.48 41.45 1.88 Allowed 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 177.299 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.649 ' HE2' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -59.88 -11.09 4.75 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.938 -0.476 . . . . 0.0 110.706 179.502 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 2.2 tmmt? 170.84 -22.12 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.147 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.657 ' HB ' ' HB2' ' A' ' 13' ' ' ALA . 4.8 m -76.81 4.7 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.804 -0.56 . . . . 0.0 111.709 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 11' ' ' LEU . 10.9 mp 43.91 62.59 1.89 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.272 -0.892 . . . . 0.0 108.808 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.951 ' HD3' HD12 ' A' ' 7' ' ' LEU . 8.0 mmmm 51.12 82.87 0.05 Allowed 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 121.237 0.541 . . . . 0.0 111.031 -178.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.657 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . . . -92.64 123.42 35.91 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.271 -0.893 . . . . 0.0 110.317 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.802 -1.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' DOA . . . . . 0.493 ' O ' ' HB3' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.734 ' HB3' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.512 2.631 0 CA-C-O 120.962 0.41 . . . . 0.0 110.658 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.549 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER 81.08 60.22 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.214 0 CA-C-O 121.296 0.57 . . . . 0.0 111.406 179.601 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.068 ' CE3' HD11 ' A' ' 7' ' ' LEU . 32.8 p-90 -133.76 -41.77 0.84 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.969 -1.082 . . . . 0.0 111.131 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.668 ' N ' ' CG ' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -61.49 -16.11 44.26 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.047 -1.033 . . . . 0.0 108.719 -178.633 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.624 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -86.79 5.29 37.23 Favored 'General case' 0 C--O 1.211 -0.964 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 176.012 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.752 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 14.4 mt -101.48 -34.33 9.6 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.068 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -116.32 38.34 3.43 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.574 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.559 ' HE3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -54.76 -18.53 4.82 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 121.749 0.785 . . . . 0.0 109.454 178.695 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.497 ' HG3' ' N ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER 177.81 -19.13 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.899 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.674 ' HB ' ' HB3' ' A' ' 13' ' ' ALA . 6.0 m -77.64 15.71 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 O-C-N 121.566 -0.709 . . . . 0.0 111.437 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.678 HD12 ' N ' ' A' ' 11' ' ' LEU . 9.5 mp 43.67 64.74 1.16 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.44 -0.787 . . . . 0.0 109.13 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.623 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.3 OUTLIER 62.25 94.21 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -178.111 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.674 ' HB3' ' HB ' ' A' ' 10' ' ' VAL 0.285 . . -165.26 -1.29 0.03 OUTLIER 'General case' 1 C--O 1.318 4.681 0 N-CA-C 119.285 3.069 . . . . 0.0 119.285 -179.307 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.644 1 CA-C-N 107.222 -4.535 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' DOA . . . . . 0.734 ' O ' ' HB3' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.912 ' HB2' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.524 3.254 0 N-CA-C 110.867 -0.049 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 59.73 62.54 1.69 Allowed 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 -178.202 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.961 ' HA ' HD22 ' A' ' 6' ' ' LEU . 29.4 p-90 -126.37 -36.2 2.32 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.071 -177.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.659 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -59.43 -19.84 50.46 Favored 'General case' 0 C--N 1.309 -1.168 0 O-C-N 121.197 -0.939 . . . . 0.0 110.632 -178.914 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.615 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -88.74 12.52 14.72 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 176.683 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.961 HD22 ' HA ' ' A' ' 3' ' ' TRP . 4.6 mp -107.33 -39.5 5.65 Favored 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.861 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -114.12 34.13 4.85 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 177.456 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.615 ' HE2' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -71.81 -7.08 46.14 Favored 'General case' 0 N--CA 1.501 2.077 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.705 -178.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 2.6 ttpt -179.79 -24.26 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.64 -0.662 . . . . 0.0 109.77 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.673 ' CG2' ' HB3' ' A' ' 13' ' ' ALA . 10.9 m -77.43 18.17 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.478 -0.763 . . . . 0.0 111.785 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 11' ' ' LEU . 10.8 mp 45.37 63.08 1.9 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.176 -0.953 . . . . 0.0 110.331 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.665 ' HE3' ' HG ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER 62.03 89.06 0.08 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.828 -0.545 . . . . 0.0 110.867 -179.707 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.673 ' HB3' ' CG2' ' A' ' 10' ' ' VAL . . . -159.61 175.59 13.03 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.357 -0.839 . . . . 0.0 110.411 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 119.673 -1.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' DOA . . . . . 0.912 ' O ' ' HB2' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.9 ' HB2' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.525 3.304 0 CA-C-O 119.927 -0.082 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.41 ' HA ' HD22 ' A' ' 2' ' ' LEU . 0.1 OUTLIER 59.71 59.86 2.39 Favored 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 -178.131 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.784 ' HA ' HD22 ' A' ' 6' ' ' LEU . 24.8 p-90 -122.73 -32.14 3.6 Favored 'General case' 0 N--CA 1.496 1.866 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.148 -177.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.67 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -63.54 -15.64 58.53 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 121.426 -0.796 . . . . 0.0 110.367 -179.273 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.595 HG22 ' CD1' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -94.73 12.38 28.04 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 176.57 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.784 HD22 ' HA ' ' A' ' 3' ' ' TRP . 6.8 mp -107.45 -32.96 7.51 Favored 'General case' 0 N--CA 1.508 2.437 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 178.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.67 ' CD2' ' HA ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -113.03 26.17 10.73 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.003 179.075 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.69 ' HE2' ' CA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -39.9 -35.98 0.41 Allowed 'General case' 0 N--CA 1.502 2.146 0 CA-C-O 121.974 0.892 . . . . 0.0 109.875 -179.184 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -175.55 23.23 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.02 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 6' ' ' LEU . 18.9 m -120.79 11.13 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 O-C-N 121.608 -0.683 . . . . 0.0 110.248 -178.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 11.0 mt 47.16 54.9 8.78 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -178.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.669 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER 67.73 -67.74 0.18 Allowed 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.976 -178.388 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.91 -94.28 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.587 -0.696 . . . . 0.0 110.755 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.135 0 O-C-N 119.251 -2.156 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' DOA . . . . . 0.9 ' O ' ' HB2' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.501 2.124 0 CA-C-O 121.66 0.743 . . . . 0.0 111.618 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 68.1 52.52 0.67 Allowed 'General case' 0 N--CA 1.504 2.231 0 CA-C-O 121.321 0.582 . . . . 0.0 111.818 178.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.805 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 15.9 p-90 -124.12 -29.67 3.56 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.416 -0.803 . . . . 0.0 110.329 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.657 ' HE3' ' CD1' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -71.45 1.0 7.02 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.599 0.714 . . . . 0.0 110.202 179.373 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.592 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -113.82 5.96 16.52 Favored 'General case' 0 C--O 1.199 -1.593 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.438 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.805 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 12.7 mt -96.05 -45.32 6.95 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.807 ' C ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -84.04 39.18 0.69 Allowed 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 114.577 -1.192 . . . . 0.0 110.143 177.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.592 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -47.81 -24.33 0.96 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 122.035 0.922 . . . . 0.0 110.39 -179.516 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 174.83 -19.55 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.278 -178.589 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.54 ' CG2' ' HB3' ' A' ' 13' ' ' ALA . 11.3 m -69.33 12.46 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.534 -0.729 . . . . 0.0 112.095 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.9 mt 46.98 59.5 3.97 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.903 . . . . 0.0 109.002 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.61 ' HD2' ' HB3' ' A' ' 7' ' ' LEU . 2.7 mmmm 62.42 95.17 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.365 0.602 . . . . 0.0 110.902 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.54 ' HB3' ' CG2' ' A' ' 10' ' ' VAL . . . -151.72 -52.85 0.12 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.444 -0.785 . . . . 0.0 110.432 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.256 0 O-C-N 119.639 -1.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' DOA . . . . . 0.547 ' O ' ' HB3' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.788 ' HB3' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.501 2.104 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 2' ' ' LEU . 0.3 OUTLIER 65.52 89.16 0.1 Allowed 'General case' 0 N--CA 1.509 2.483 0 CA-C-O 121.885 0.85 . . . . 0.0 112.543 177.161 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.646 ' HA ' HD22 ' A' ' 6' ' ' LEU . 10.4 p-90 -158.13 -34.18 0.07 Allowed 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.267 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.584 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -45.74 -27.65 0.87 Allowed 'General case' 0 N--CA 1.484 1.227 0 O-C-N 121.077 -1.014 . . . . 0.0 110.821 -179.546 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.578 HG23 HD12 ' A' ' 6' ' ' LEU . 13.1 t -85.03 -33.57 22.49 Favored 'General case' 0 C--O 1.202 -1.444 0 O-C-N 121.559 -0.713 . . . . 0.0 109.191 177.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.646 HD22 ' HA ' ' A' ' 3' ' ' TRP . 8.9 mp -51.82 -34.47 40.46 Favored 'General case' 0 N--CA 1.512 2.667 0 O-C-N 121.737 -0.602 . . . . 0.0 111.21 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.806 ' H ' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -109.15 46.92 0.95 Allowed 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 177.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.58 ' HE3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -63.05 -15.44 56.53 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.274 179.795 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 174.57 -22.32 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 121.215 0.531 . . . . 0.0 109.634 -179.298 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.423 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 6.5 m -71.82 8.97 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.679 -0.638 . . . . 0.0 111.951 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.467 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 13.5 mt 46.09 58.13 4.69 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.162 -0.961 . . . . 0.0 108.998 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.753 ' HD2' ' HB3' ' A' ' 7' ' ' LEU . 0.7 OUTLIER 67.87 -64.02 0.3 Allowed 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -178.689 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 12' ' ' LYS . . . 67.99 -73.82 0.08 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.605 -0.684 . . . . 0.0 110.767 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.25 0 O-C-N 119.293 -2.129 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' DOA . . . . . 0.788 ' O ' ' HB3' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.506 2.338 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.545 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER 78.64 57.74 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.331 0 CA-C-O 121.254 0.55 . . . . 0.0 111.786 179.414 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.968 ' CE3' HD11 ' A' ' 7' ' ' LEU . 33.7 p-90 -127.68 -46.24 1.44 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.347 -0.845 . . . . 0.0 109.603 178.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.808 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -56.11 -20.37 17.09 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.375 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.768 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -83.93 8.74 14.11 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 176.929 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.768 HD12 ' C ' ' A' ' 5' ' ' THR . 7.0 mp -110.42 -31.36 7.31 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.968 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -118.51 34.24 5.28 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.009 178.619 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.588 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -47.47 -19.77 0.19 Allowed 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.805 0.812 . . . . 0.0 109.689 178.218 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER 172.49 -16.33 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.568 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.674 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 10.4 m -75.98 12.22 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.204 -1.335 0 O-C-N 121.519 -0.738 . . . . 0.0 111.208 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.45 ' N ' HD23 ' A' ' 11' ' ' LEU . 8.7 mt 44.91 58.76 3.8 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.032 -1.042 . . . . 0.0 109.44 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.608 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.6 OUTLIER 65.41 8.41 4.98 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.641 -0.662 . . . . 0.0 111.558 -177.579 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 10' ' ' VAL 0.573 . . -86.39 -138.97 0.09 Allowed 'General case' 1 C--O 1.35 6.361 0 N-CA-C 118.353 2.723 . . . . 0.0 118.353 -178.237 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.419 3.6 1 CA-C-N 105.67 -5.241 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' DOA . . . . . 0.682 ' O ' ' HB3' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.508 2.458 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.951 ' CE3' HD11 ' A' ' 7' ' ' LEU . 12.1 p-90 -134.13 -42.25 0.81 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.001 -1.062 . . . . 0.0 110.212 177.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.637 ' HD2' ' CE2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -46.88 -26.01 0.89 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.84 -1.162 . . . . 0.0 109.581 178.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.533 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -87.53 8.19 26.13 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.765 -0.584 . . . . 0.0 110.465 179.321 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.722 ' HG ' ' HA ' ' A' ' 3' ' ' TRP . 14.7 mt -101.61 -33.13 10.03 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.951 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -116.62 39.46 3.16 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 177.561 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.549 ' HE3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -56.61 -12.33 1.75 Allowed 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 121.489 0.661 . . . . 0.0 109.694 179.077 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.501 ' CE ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 169.06 -18.53 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 -179.609 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.438 HG11 ' NZ ' ' A' ' 8' ' ' LYS . 3.8 m -77.9 14.19 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 O-C-N 121.582 -0.699 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.482 HD23 ' N ' ' A' ' 11' ' ' LEU . 7.8 mt 44.25 66.64 0.81 Allowed 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.038 -1.039 . . . . 0.0 109.089 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.611 ' CE ' HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.306 -1.307 0 O-C-N 121.686 -0.634 . . . . 0.0 110.434 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.484 HD22 ' HA ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.505 2.303 0 CA-C-O 121.056 0.455 . . . . 0.0 112.056 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 1.029 ' CE3' HD11 ' A' ' 7' ' ' LEU . 30.4 p-90 -132.91 -43.4 0.89 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.181 -0.949 . . . . 0.0 110.243 178.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.682 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -57.9 -20.08 34.49 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.001 -1.062 . . . . 0.0 108.6 179.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.512 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -83.78 4.81 27.4 Favored 'General case' 0 C--O 1.208 -1.105 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 176.622 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.759 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 16.7 mt -101.77 -33.61 9.77 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 178.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.029 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -114.71 39.23 2.89 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 121.638 0.732 . . . . 0.0 109.046 178.007 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.559 ' HE3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -57.96 -10.28 1.72 Allowed 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.512 -0.742 . . . . 0.0 109.984 179.022 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 167.58 -18.6 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.49 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 6' ' ' LEU . 4.6 m -77.66 12.76 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.204 -1.305 0 O-C-N 121.603 -0.686 . . . . 0.0 110.856 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.487 HD23 ' N ' ' A' ' 11' ' ' LEU . 7.6 mt 44.15 64.36 1.33 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.94 -1.1 . . . . 0.0 109.528 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.611 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.482 0 O-C-N 121.565 -0.709 . . . . 0.0 111.316 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.488 ' C ' HD13 ' A' ' 2' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 121.264 0.554 . . . . 0.0 109.794 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.855 ' HA ' ' HG ' ' A' ' 6' ' ' LEU . 8.3 p-90 -136.36 -45.89 0.62 Allowed 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 118.904 -1.118 . . . . 0.0 111.749 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.658 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -38.05 -28.16 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 O-C-N 121.531 -0.73 . . . . 0.0 111.705 -179.326 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.551 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 3.4 t -82.77 -45.38 14.44 Favored 'General case' 0 C--O 1.194 -1.854 0 O-C-N 121.229 -0.92 . . . . 0.0 109.72 178.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.855 ' HG ' ' HA ' ' A' ' 3' ' ' TRP . 8.8 mt -39.43 -37.29 0.45 Allowed 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.854 -0.529 . . . . 0.0 110.447 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.865 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -107.67 42.98 1.25 Allowed 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.801 0.81 . . . . 0.0 109.005 178.187 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.551 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -62.86 -8.26 6.64 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.874 -0.516 . . . . 0.0 110.189 179.363 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 4.2 ttpt 165.48 -19.55 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 -179.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' A' ' 6' ' ' LEU . 6.0 m -75.2 10.98 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 O-C-N 121.629 -0.669 . . . . 0.0 111.106 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.478 HD23 ' N ' ' A' ' 11' ' ' LEU . 7.7 mt 45.06 57.88 4.42 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.978 -1.076 . . . . 0.0 109.428 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.818 ' HD2' HD12 ' A' ' 7' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.836 -0.54 . . . . 0.0 111.581 -178.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.487 HD22 ' HA ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.506 2.328 0 CA-C-O 121.438 0.637 . . . . 0.0 111.384 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.909 ' CE3' HD11 ' A' ' 7' ' ' LEU . 24.8 p-90 -129.99 -37.96 1.47 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.471 -0.768 . . . . 0.0 110.457 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.601 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -62.21 -19.72 63.44 Favored 'General case' 0 C--N 1.308 -1.207 0 O-C-N 121.147 -0.971 . . . . 0.0 109.521 -179.688 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.625 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -87.23 7.97 26.09 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 176.321 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.81 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 14.8 mt -102.11 -37.57 8.1 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.909 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -115.38 41.25 2.51 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.72 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.625 ' HE2' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -59.62 -12.09 6.08 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.841 -0.537 . . . . 0.0 111.0 179.568 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 15.4 ttpt 171.87 -23.45 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.063 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.7 m -72.92 7.71 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.76 -0.588 . . . . 0.0 112.142 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 12.9 mt 46.72 58.96 4.23 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.111 -0.993 . . . . 0.0 108.787 -178.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.776 ' HD2' ' HB3' ' A' ' 7' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.787 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.724 -178.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.505 2.304 0 CA-C-O 121.102 0.477 . . . . 0.0 112.045 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 1.054 ' CE3' HD11 ' A' ' 7' ' ' LEU . 31.1 p-90 -132.74 -43.92 0.89 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.072 -1.018 . . . . 0.0 110.29 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.705 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -57.41 -20.66 31.37 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.968 -1.082 . . . . 0.0 108.312 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.53 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -82.83 3.62 28.82 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 177.224 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.742 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 16.0 mt -100.86 -33.93 10.01 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.054 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -114.77 38.27 3.18 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 119.726 -0.79 . . . . 0.0 109.35 178.377 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.573 ' HE3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -57.29 -11.52 1.83 Allowed 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 121.622 0.725 . . . . 0.0 109.57 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 168.68 -18.8 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -179.413 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 6' ' ' LEU . 4.0 m -77.84 12.88 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 O-C-N 121.683 -0.636 . . . . 0.0 110.944 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.5 HD23 ' N ' ' A' ' 11' ' ' LEU . 7.4 mt 43.58 63.14 1.65 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.036 -1.04 . . . . 0.0 109.049 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.593 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.305 -1.341 0 O-C-N 121.669 -0.644 . . . . 0.0 110.343 -179.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.498 HD22 ' HA ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 121.262 0.553 . . . . 0.0 110.084 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.914 ' HA ' HD22 ' A' ' 6' ' ' LEU . 10.1 p-90 -137.0 -43.26 0.57 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.15 -0.969 . . . . 0.0 111.298 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.628 ' HD2' ' CE2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -38.58 -27.4 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.118 0 O-C-N 121.67 -0.644 . . . . 0.0 110.935 -179.667 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.591 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 4.4 t -84.28 -44.91 13.38 Favored 'General case' 0 C--O 1.197 -1.683 0 O-C-N 121.19 -0.944 . . . . 0.0 109.427 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.914 HD22 ' HA ' ' A' ' 3' ' ' TRP . 5.0 mp -37.63 -36.35 0.17 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.966 -0.459 . . . . 0.0 111.186 179.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.828 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -111.6 45.56 1.21 Allowed 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 122.197 0.998 . . . . 0.0 109.029 178.62 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.591 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -62.15 -12.85 21.94 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.544 -179.473 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 164.23 -29.99 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 -179.126 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.707 HG23 ' H ' ' A' ' 11' ' ' LEU . 1.4 m -39.7 -89.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.278 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.784 HD23 ' N ' ' A' ' 11' ' ' LEU . 1.3 pt? 172.74 50.05 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.57 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -176.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.499 1.998 0 CA-C-O 121.025 0.44 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.816 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 6.5 p-90 -121.47 -38.09 2.82 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.366 -0.834 . . . . 0.0 111.13 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.551 ' HD2' ' CE2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -53.63 -25.62 18.58 Favored 'General case' 0 C--N 1.31 -1.139 0 O-C-N 120.851 -1.155 . . . . 0.0 109.62 179.334 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 5' ' ' THR . 0.4 OUTLIER -88.46 12.14 15.14 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.968 -0.458 . . . . 0.0 110.329 178.463 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.816 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 15.1 mt -105.26 -38.88 6.37 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.815 HD13 ' HB2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -115.91 43.77 2.05 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 177.813 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.556 ' HE3' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -55.99 -16.28 4.66 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.265 0.555 . . . . 0.0 110.328 179.623 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER 174.09 -21.94 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.262 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.6 m -71.94 12.77 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.711 -0.618 . . . . 0.0 112.232 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.0 mt 46.07 60.96 2.92 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.124 -0.985 . . . . 0.0 109.693 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.809 ' HD2' ' HB3' ' A' ' 7' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 121.41 0.624 . . . . 0.0 110.906 -179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.468 ' C ' HD13 ' A' ' 2' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.501 2.093 0 CA-C-O 121.639 0.733 . . . . 0.0 109.036 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.945 ' HA ' HD22 ' A' ' 6' ' ' LEU . 9.8 p-90 -147.58 -38.35 0.2 Allowed 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.397 -177.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.715 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -42.91 -26.27 0.13 Allowed 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.52 -0.737 . . . . 0.0 110.597 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.574 HG23 HD12 ' A' ' 6' ' ' LEU . 10.6 t -82.65 -37.9 24.25 Favored 'General case' 0 C--O 1.195 -1.781 0 O-C-N 121.417 -0.802 . . . . 0.0 109.132 177.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.945 HD22 ' HA ' ' A' ' 3' ' ' TRP . 4.4 mp -47.12 -33.36 5.0 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 121.612 -0.68 . . . . 0.0 110.589 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.012 HD12 ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -111.18 45.13 1.21 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 177.785 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.553 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -59.53 -11.47 4.74 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.262 179.161 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 18.4 ttpt 164.13 -20.56 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.417 ' H ' HG13 ' A' ' 10' ' ' VAL . 3.2 m -71.81 3.24 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 O-C-N 121.902 -0.499 . . . . 0.0 111.027 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 11' ' ' LEU . 6.4 mt 46.26 61.59 2.66 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 1.012 ' CD ' HD12 ' A' ' 7' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.197 -1.688 0 CA-C-O 122.404 1.097 . . . . 0.0 110.691 -177.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.505 2.308 0 CA-C-O 121.201 0.524 . . . . 0.0 111.438 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.994 ' CE3' HD11 ' A' ' 7' ' ' LEU . 22.7 p-90 -124.2 -42.54 2.12 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.261 -0.899 . . . . 0.0 109.955 178.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.7 ' HA ' HD21 ' A' ' 7' ' ' LEU . 1.1 ptmt -59.61 -19.9 52.14 Favored 'General case' 0 C--N 1.311 -1.087 0 O-C-N 121.431 -0.793 . . . . 0.0 110.06 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.649 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -87.25 6.24 34.23 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 177.076 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.85 HD22 ' HA ' ' A' ' 3' ' ' TRP . 5.8 mp -103.01 -36.75 8.06 Favored 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.994 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -111.48 41.45 1.88 Allowed 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 177.299 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.649 ' HE2' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -59.88 -11.09 4.75 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.938 -0.476 . . . . 0.0 110.706 179.502 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 2.2 tmmt? 170.84 -22.12 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.147 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 m -76.81 4.7 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.804 -0.56 . . . . 0.0 111.709 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 11' ' ' LEU . 10.9 mp 43.91 62.59 1.89 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.272 -0.892 . . . . 0.0 108.808 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.951 ' HD3' HD12 ' A' ' 7' ' ' LEU . 8.0 mmmm . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 121.237 0.541 . . . . 0.0 111.031 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.503 2.214 0 CA-C-O 121.296 0.57 . . . . 0.0 111.406 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 1.068 ' CE3' HD11 ' A' ' 7' ' ' LEU . 32.8 p-90 -133.76 -41.77 0.84 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.969 -1.082 . . . . 0.0 111.131 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.668 ' N ' ' CG ' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -61.49 -16.11 44.26 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.047 -1.033 . . . . 0.0 108.719 -178.633 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.624 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -86.79 5.29 37.23 Favored 'General case' 0 C--O 1.211 -0.964 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 176.012 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.752 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 14.4 mt -101.48 -34.33 9.6 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.068 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -116.32 38.34 3.43 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.574 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.559 ' HE3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -54.76 -18.53 4.82 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 121.749 0.785 . . . . 0.0 109.454 178.695 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.497 ' HG3' ' N ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER 177.81 -19.13 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.899 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.497 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 6.0 m -77.64 15.71 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 O-C-N 121.566 -0.709 . . . . 0.0 111.437 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.678 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.5 mp 43.67 64.74 1.16 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.44 -0.787 . . . . 0.0 109.13 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.623 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -178.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.505 2.322 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.961 ' HA ' HD22 ' A' ' 6' ' ' LEU . 29.4 p-90 -126.37 -36.2 2.32 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.071 -177.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.659 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -59.43 -19.84 50.46 Favored 'General case' 0 C--N 1.309 -1.168 0 O-C-N 121.197 -0.939 . . . . 0.0 110.632 -178.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.615 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -88.74 12.52 14.72 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 176.683 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.961 HD22 ' HA ' ' A' ' 3' ' ' TRP . 4.6 mp -107.33 -39.5 5.65 Favored 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.861 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -114.12 34.13 4.85 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 177.456 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.615 ' HE2' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -71.81 -7.08 46.14 Favored 'General case' 0 N--CA 1.501 2.077 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.705 -178.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 2.6 ttpt -179.79 -24.26 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.64 -0.662 . . . . 0.0 109.77 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 6' ' ' LEU . 10.9 m -77.43 18.17 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.478 -0.763 . . . . 0.0 111.785 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.576 ' N ' HD12 ' A' ' 11' ' ' LEU . 10.8 mp 45.37 63.08 1.9 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.176 -0.953 . . . . 0.0 110.331 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.665 ' HE3' ' HG ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.498 1.971 0 O-C-N 121.828 -0.545 . . . . 0.0 110.867 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.41 ' HA ' HD22 ' A' ' 2' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.505 2.286 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.784 ' HA ' HD22 ' A' ' 6' ' ' LEU . 24.8 p-90 -122.73 -32.14 3.6 Favored 'General case' 0 N--CA 1.496 1.866 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.148 -177.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.67 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -63.54 -15.64 58.53 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 121.426 -0.796 . . . . 0.0 110.367 -179.273 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.595 HG22 ' CD1' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -94.73 12.38 28.04 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 176.57 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.784 HD22 ' HA ' ' A' ' 3' ' ' TRP . 6.8 mp -107.45 -32.96 7.51 Favored 'General case' 0 N--CA 1.508 2.437 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 178.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.67 ' CD2' ' HA ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -113.03 26.17 10.73 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.003 179.075 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.69 ' HE2' ' CA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -39.9 -35.98 0.41 Allowed 'General case' 0 N--CA 1.502 2.146 0 CA-C-O 121.974 0.892 . . . . 0.0 109.875 -179.184 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -175.55 23.23 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.02 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 6' ' ' LEU . 18.9 m -120.79 11.13 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 O-C-N 121.608 -0.683 . . . . 0.0 110.248 -178.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 11.0 mt 47.16 54.9 8.78 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -178.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.669 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.976 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.504 2.231 0 CA-C-O 121.321 0.582 . . . . 0.0 111.818 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.805 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 15.9 p-90 -124.12 -29.67 3.56 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.416 -0.803 . . . . 0.0 110.329 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.657 ' HE3' ' CD1' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -71.45 1.0 7.02 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.599 0.714 . . . . 0.0 110.202 179.373 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.592 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -113.82 5.96 16.52 Favored 'General case' 0 C--O 1.199 -1.593 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.438 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.805 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 12.7 mt -96.05 -45.32 6.95 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.807 HD23 ' C ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -84.04 39.18 0.69 Allowed 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 114.577 -1.192 . . . . 0.0 110.143 177.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.592 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -47.81 -24.33 0.96 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 122.035 0.922 . . . . 0.0 110.39 -179.516 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 174.83 -19.55 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.278 -178.589 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.3 m -69.33 12.46 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.534 -0.729 . . . . 0.0 112.095 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.9 mt 46.98 59.5 3.97 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.903 . . . . 0.0 109.002 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.61 ' HD2' ' HB3' ' A' ' 7' ' ' LEU . 2.7 mmmm . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.365 0.602 . . . . 0.0 110.902 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 2' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.509 2.483 0 CA-C-O 121.885 0.85 . . . . 0.0 112.543 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.646 ' HA ' HD22 ' A' ' 6' ' ' LEU . 10.4 p-90 -158.13 -34.18 0.07 Allowed 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.267 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.584 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -45.74 -27.65 0.87 Allowed 'General case' 0 N--CA 1.484 1.227 0 O-C-N 121.077 -1.014 . . . . 0.0 110.821 -179.546 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.578 HG23 HD12 ' A' ' 6' ' ' LEU . 13.1 t -85.03 -33.57 22.49 Favored 'General case' 0 C--O 1.202 -1.444 0 O-C-N 121.559 -0.713 . . . . 0.0 109.191 177.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.646 HD22 ' HA ' ' A' ' 3' ' ' TRP . 8.9 mp -51.82 -34.47 40.46 Favored 'General case' 0 N--CA 1.512 2.667 0 O-C-N 121.737 -0.602 . . . . 0.0 111.21 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.806 HD22 ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -109.15 46.92 0.95 Allowed 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 177.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.58 ' HE3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -63.05 -15.44 56.53 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.274 179.795 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 174.57 -22.32 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 121.215 0.531 . . . . 0.0 109.634 -179.298 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.423 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 6.5 m -71.82 8.97 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.679 -0.638 . . . . 0.0 111.951 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.467 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 13.5 mt 46.09 58.13 4.69 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.162 -0.961 . . . . 0.0 108.998 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.753 ' HD2' ' HB3' ' A' ' 7' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.496 1.835 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -178.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.506 2.331 0 CA-C-O 121.254 0.55 . . . . 0.0 111.786 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.968 ' CE3' HD11 ' A' ' 7' ' ' LEU . 33.7 p-90 -127.68 -46.24 1.44 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.347 -0.845 . . . . 0.0 109.603 178.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.808 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -56.11 -20.37 17.09 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.375 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.768 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -83.93 8.74 14.11 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 176.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.768 HD12 ' C ' ' A' ' 5' ' ' THR . 7.0 mp -110.42 -31.36 7.31 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.968 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -118.51 34.24 5.28 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.009 178.619 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.588 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -47.47 -19.77 0.19 Allowed 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.805 0.812 . . . . 0.0 109.689 178.218 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER 172.49 -16.33 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.568 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 6' ' ' LEU . 10.4 m -75.98 12.22 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.204 -1.335 0 O-C-N 121.519 -0.738 . . . . 0.0 111.208 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.45 HD23 ' N ' ' A' ' 11' ' ' LEU . 8.7 mt 44.91 58.76 3.8 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.032 -1.042 . . . . 0.0 109.44 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.608 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.488 1.433 0 O-C-N 121.641 -0.662 . . . . 0.0 111.558 -177.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.62 ' O ' ' CB ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.5 2.029 0 CA-C-O 120.473 0.178 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.62 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER 89.65 52.72 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.458 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.951 ' CE3' HD11 ' A' ' 7' ' ' LEU . 12.1 p-90 -134.13 -42.25 0.81 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.001 -1.062 . . . . 0.0 110.212 177.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.637 ' HD2' ' CE2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -46.88 -26.01 0.89 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.84 -1.162 . . . . 0.0 109.581 178.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.533 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -87.53 8.19 26.13 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.765 -0.584 . . . . 0.0 110.465 179.321 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.722 ' HG ' ' HA ' ' A' ' 3' ' ' TRP . 14.7 mt -101.61 -33.13 10.03 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.951 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -116.62 39.46 3.16 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 177.561 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.549 ' HE3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -56.61 -12.33 1.75 Allowed 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 121.489 0.661 . . . . 0.0 109.694 179.077 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.501 ' CE ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 169.06 -18.53 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 -179.609 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.809 ' CG2' ' HB3' ' A' ' 13' ' ' ALA . 3.8 m -77.9 14.19 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 O-C-N 121.582 -0.699 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.482 HD23 ' N ' ' A' ' 11' ' ' LEU . 7.8 mt 44.25 66.64 0.81 Allowed 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.038 -1.039 . . . . 0.0 109.089 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.611 ' CE ' HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER 57.8 96.44 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.686 -0.634 . . . . 0.0 110.434 -178.794 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.809 ' HB3' ' CG2' ' A' ' 10' ' ' VAL . . . -158.21 169.22 25.01 Favored 'General case' 2 C--O 1.086 -7.506 0 N-CA-C 118.013 2.597 . . . . 0.0 118.013 -178.656 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.147 -8.231 1 O-C-N 101.023 -13.548 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' DOA . . . . . 0.59 ' O ' ' HB3' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.74 ' HB3' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.513 2.678 0 CA-C-O 120.626 0.251 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.564 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER 81.82 59.52 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.303 0 CA-C-O 121.056 0.455 . . . . 0.0 112.056 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.029 ' CE3' HD11 ' A' ' 7' ' ' LEU . 30.4 p-90 -132.91 -43.4 0.89 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.181 -0.949 . . . . 0.0 110.243 178.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.682 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -57.9 -20.08 34.49 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.001 -1.062 . . . . 0.0 108.6 179.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.512 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -83.78 4.81 27.4 Favored 'General case' 0 C--O 1.208 -1.105 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 176.622 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.759 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 16.7 mt -101.77 -33.61 9.77 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 178.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.029 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -114.71 39.23 2.89 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 121.638 0.732 . . . . 0.0 109.046 178.007 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.559 ' HE3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -57.96 -10.28 1.72 Allowed 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.512 -0.742 . . . . 0.0 109.984 179.022 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 167.58 -18.6 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.49 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.782 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 4.6 m -77.66 12.76 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.204 -1.305 0 O-C-N 121.603 -0.686 . . . . 0.0 110.856 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.487 HD23 ' N ' ' A' ' 11' ' ' LEU . 7.6 mt 44.15 64.36 1.33 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.94 -1.1 . . . . 0.0 109.528 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.611 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.4 OUTLIER 58.56 14.19 2.93 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.565 -0.709 . . . . 0.0 111.316 -178.649 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' A' ' 10' ' ' VAL . . . -116.9 119.04 34.13 Favored 'General case' 0 N--CA 1.537 3.889 1 N-CA-C 123.977 4.806 . . . . 0.0 123.977 -179.372 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.124 -9.239 1 O-C-N 114.473 -5.142 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' DOA . . . . . 0.74 ' O ' ' HB3' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.795 ' HB3' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.529 3.503 0 N-CA-C 110.606 -0.146 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.488 ' C ' HD13 ' A' ' 2' ' ' LEU . 0.6 OUTLIER -135.06 63.84 1.61 Allowed 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.136 -0.977 . . . . 0.0 109.794 178.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.855 ' HA ' ' HG ' ' A' ' 6' ' ' LEU . 8.3 p-90 -136.36 -45.89 0.62 Allowed 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 118.904 -1.118 . . . . 0.0 111.749 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.658 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -38.05 -28.16 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 O-C-N 121.531 -0.73 . . . . 0.0 111.705 -179.326 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.551 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 3.4 t -82.77 -45.38 14.44 Favored 'General case' 0 C--O 1.194 -1.854 0 O-C-N 121.229 -0.92 . . . . 0.0 109.72 178.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.855 ' HG ' ' HA ' ' A' ' 3' ' ' TRP . 8.8 mt -39.43 -37.29 0.45 Allowed 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.854 -0.529 . . . . 0.0 110.447 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.865 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -107.67 42.98 1.25 Allowed 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.801 0.81 . . . . 0.0 109.005 178.187 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.551 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -62.86 -8.26 6.64 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.874 -0.516 . . . . 0.0 110.189 179.363 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 4.2 ttpt 165.48 -19.55 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 -179.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.63 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 6.0 m -75.2 10.98 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 O-C-N 121.629 -0.669 . . . . 0.0 111.106 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.478 HD23 ' N ' ' A' ' 11' ' ' LEU . 7.7 mt 45.06 57.88 4.42 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.978 -1.076 . . . . 0.0 109.428 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.818 ' HD2' HD12 ' A' ' 7' ' ' LEU . 0.6 OUTLIER 65.12 8.47 4.81 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.836 -0.54 . . . . 0.0 111.581 -178.744 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 10' ' ' VAL . . . -102.72 67.45 0.98 Allowed 'General case' 0 N--CA 1.518 2.967 1 N-CA-C 122.324 4.194 . . . . 0.0 122.324 -176.759 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.228 -4.7 1 O-C-N 110.677 -7.514 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' DOA . . . . . 0.795 ' O ' ' HB3' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.503 2.215 0 CA-C-O 121.171 0.51 . . . . 0.0 111.376 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.487 HD22 ' HA ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER 75.68 57.93 0.06 Allowed 'General case' 0 N--CA 1.506 2.328 0 CA-C-O 121.438 0.637 . . . . 0.0 111.384 179.043 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.909 ' CE3' HD11 ' A' ' 7' ' ' LEU . 24.8 p-90 -129.99 -37.96 1.47 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.471 -0.768 . . . . 0.0 110.457 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.601 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -62.21 -19.72 63.44 Favored 'General case' 0 C--N 1.308 -1.207 0 O-C-N 121.147 -0.971 . . . . 0.0 109.521 -179.688 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.625 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -87.23 7.97 26.09 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 176.321 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.81 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 14.8 mt -102.11 -37.57 8.1 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.909 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -115.38 41.25 2.51 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.72 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.625 ' HE2' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -59.62 -12.09 6.08 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.841 -0.537 . . . . 0.0 111.0 179.568 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 15.4 ttpt 171.87 -23.45 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.063 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.7 m -72.92 7.71 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.76 -0.588 . . . . 0.0 112.142 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 12.9 mt 46.72 58.96 4.23 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.111 -0.993 . . . . 0.0 108.787 -178.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.776 ' HD2' ' HB3' ' A' ' 7' ' ' LEU . 0.4 OUTLIER 68.28 -68.0 0.18 Allowed 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.724 -178.65 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 12' ' ' LYS . . . 63.23 99.64 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.565 -0.709 . . . . 0.0 110.654 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.723 -1.861 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' DOA . . . . . 0.607 ' O ' ' HB3' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.498 1.96 0 CA-C-O 121.276 0.56 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.577 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER 82.06 59.55 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.304 0 CA-C-O 121.102 0.477 . . . . 0.0 112.045 178.673 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.054 ' CE3' HD11 ' A' ' 7' ' ' LEU . 31.1 p-90 -132.74 -43.92 0.89 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.072 -1.018 . . . . 0.0 110.29 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.705 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -57.41 -20.66 31.37 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.968 -1.082 . . . . 0.0 108.312 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.53 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -82.83 3.62 28.82 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 177.224 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.742 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 16.0 mt -100.86 -33.93 10.01 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.054 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -114.77 38.27 3.18 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 119.726 -0.79 . . . . 0.0 109.35 178.377 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.573 ' HE3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -57.29 -11.52 1.83 Allowed 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 121.622 0.725 . . . . 0.0 109.57 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 168.68 -18.8 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -179.413 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 6' ' ' LEU . 4.0 m -77.84 12.88 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 O-C-N 121.683 -0.636 . . . . 0.0 110.944 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 13' ' ' ALA . 7.4 mt 43.58 63.14 1.65 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.036 -1.04 . . . . 0.0 109.049 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.593 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.5 OUTLIER 62.79 -69.54 0.06 Allowed 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.669 -0.644 . . . . 0.0 110.343 -179.094 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . 57.35 150.7 0.01 OUTLIER 'General case' 0 C--O 1.162 -3.514 0 O-C-N 121.148 -0.97 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.371 1 O-C-N 1.298 -75.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' DOA . . . . . 0.717 ' O ' ' HB3' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.815 ' HB3' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.526 3.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.498 HD22 ' HA ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER -139.54 63.66 1.49 Allowed 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.037 -1.039 . . . . 0.0 110.084 179.101 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.914 ' HA ' HD22 ' A' ' 6' ' ' LEU . 10.1 p-90 -137.0 -43.26 0.57 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.15 -0.969 . . . . 0.0 111.298 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.628 ' HD2' ' CE2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -38.58 -27.4 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.118 0 O-C-N 121.67 -0.644 . . . . 0.0 110.935 -179.667 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.591 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 4.4 t -84.28 -44.91 13.38 Favored 'General case' 0 C--O 1.197 -1.683 0 O-C-N 121.19 -0.944 . . . . 0.0 109.427 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.914 HD22 ' HA ' ' A' ' 3' ' ' TRP . 5.0 mp -37.63 -36.35 0.17 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.966 -0.459 . . . . 0.0 111.186 179.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.828 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -111.6 45.56 1.21 Allowed 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 122.197 0.998 . . . . 0.0 109.029 178.62 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.591 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -62.15 -12.85 21.94 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.544 -179.473 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 164.23 -29.99 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 -179.126 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.707 HG23 ' H ' ' A' ' 11' ' ' LEU . 1.4 m -39.7 -89.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.278 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.897 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 1.3 pt? 172.74 50.05 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.57 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER 63.62 24.74 14.07 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -176.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.897 ' HB2' ' CD2' ' A' ' 11' ' ' LEU 0.375 . . -69.34 179.87 1.86 Allowed 'General case' 1 N--CA 1.553 4.692 1 CA-C-O 131.936 5.636 . . . . 0.0 101.917 -179.254 . . . . . . . . 5 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.427 3.958 2 O-C-N 50.591 -45.068 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' DOA . . . . . 0.815 ' O ' ' HB3' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.508 2.433 0 N-CA-C 110.614 -0.143 . . . . 0.0 110.614 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.48 52.77 0.74 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.59 -1.319 . . . . 0.0 110.619 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.816 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 6.5 p-90 -121.47 -38.09 2.82 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.366 -0.834 . . . . 0.0 111.13 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.551 ' HD2' ' CE2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -53.63 -25.62 18.58 Favored 'General case' 0 C--N 1.31 -1.139 0 O-C-N 120.851 -1.155 . . . . 0.0 109.62 179.334 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 5' ' ' THR . 0.4 OUTLIER -88.46 12.14 15.14 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.968 -0.458 . . . . 0.0 110.329 178.463 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.816 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 15.1 mt -105.26 -38.88 6.37 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.815 HD13 ' HB2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -115.91 43.77 2.05 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 177.813 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.556 ' HE3' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -55.99 -16.28 4.66 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.265 0.555 . . . . 0.0 110.328 179.623 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER 174.09 -21.94 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.262 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.61 ' HB ' ' HB3' ' A' ' 13' ' ' ALA . 15.6 m -71.94 12.77 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.711 -0.618 . . . . 0.0 112.232 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.0 mt 46.07 60.96 2.92 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.124 -0.985 . . . . 0.0 109.693 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.809 ' HD2' ' HB3' ' A' ' 7' ' ' LEU . 0.3 OUTLIER 62.58 91.3 0.07 Allowed 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 121.41 0.624 . . . . 0.0 110.906 -179.34 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.61 ' HB3' ' HB ' ' A' ' 10' ' ' VAL . . . -164.8 102.29 0.79 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.594 -0.691 . . . . 0.0 109.915 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.637 -1.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' DOA . . . . . 0.755 ' O ' ' HB3' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.772 ' HB3' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.51 2.57 0 CA-C-O 121.021 0.439 . . . . 0.0 111.734 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.468 ' C ' HD13 ' A' ' 2' ' ' LEU . 0.5 OUTLIER 68.78 74.85 0.26 Allowed 'General case' 0 N--CA 1.501 2.093 0 CA-C-O 121.639 0.733 . . . . 0.0 109.036 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.945 ' HA ' HD22 ' A' ' 6' ' ' LEU . 9.8 p-90 -147.58 -38.35 0.2 Allowed 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.397 -177.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.715 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -42.91 -26.27 0.13 Allowed 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.52 -0.737 . . . . 0.0 110.597 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.574 HG23 HD12 ' A' ' 6' ' ' LEU . 10.6 t -82.65 -37.9 24.25 Favored 'General case' 0 C--O 1.195 -1.781 0 O-C-N 121.417 -0.802 . . . . 0.0 109.132 177.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.945 HD22 ' HA ' ' A' ' 3' ' ' TRP . 4.4 mp -47.12 -33.36 5.0 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 121.612 -0.68 . . . . 0.0 110.589 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.012 HD12 ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -111.18 45.13 1.21 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 177.785 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.553 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -59.53 -11.47 4.74 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.262 179.161 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 18.4 ttpt 164.13 -20.56 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.417 ' H ' HG13 ' A' ' 10' ' ' VAL . 3.2 m -71.81 3.24 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 O-C-N 121.902 -0.499 . . . . 0.0 111.027 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 11' ' ' LEU . 6.4 mt 46.26 61.59 2.66 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 1.012 ' CD ' HD12 ' A' ' 7' ' ' LEU . 0.8 OUTLIER 48.37 96.94 0.01 OUTLIER 'General case' 0 C--O 1.197 -1.688 0 CA-C-O 122.404 1.097 . . . . 0.0 110.691 -177.702 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . 0.575 . . -104.25 161.72 13.8 Favored 'General case' 1 C--O 1.413 9.669 1 N-CA-C 93.603 -6.443 . . . . 0.0 93.603 172.226 . . . . . . . . 4 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.444 4.681 1 CA-C-N 106.389 -4.914 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' DOA . . . . . 0.772 ' O ' ' HB3' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.501 2.109 0 CA-C-O 121.384 0.612 . . . . 0.0 111.542 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.471 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER 76.23 54.03 0.05 Allowed 'General case' 0 N--CA 1.505 2.308 0 CA-C-O 121.201 0.524 . . . . 0.0 111.438 179.415 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.994 ' CE3' HD11 ' A' ' 7' ' ' LEU . 22.7 p-90 -124.2 -42.54 2.12 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.261 -0.899 . . . . 0.0 109.955 178.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.7 ' HA ' HD21 ' A' ' 7' ' ' LEU . 1.1 ptmt -59.61 -19.9 52.14 Favored 'General case' 0 C--N 1.311 -1.087 0 O-C-N 121.431 -0.793 . . . . 0.0 110.06 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.649 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -87.25 6.24 34.23 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 177.076 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.85 HD22 ' HA ' ' A' ' 3' ' ' TRP . 5.8 mp -103.01 -36.75 8.06 Favored 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.994 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -111.48 41.45 1.88 Allowed 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 177.299 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.649 ' HE2' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -59.88 -11.09 4.75 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.938 -0.476 . . . . 0.0 110.706 179.502 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 2.2 tmmt? 170.84 -22.12 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.147 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.657 ' HB ' ' HB2' ' A' ' 13' ' ' ALA . 4.8 m -76.81 4.7 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.804 -0.56 . . . . 0.0 111.709 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 11' ' ' LEU . 10.9 mp 43.91 62.59 1.89 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.272 -0.892 . . . . 0.0 108.808 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.951 ' HD3' HD12 ' A' ' 7' ' ' LEU . 8.0 mmmm 51.12 82.87 0.05 Allowed 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 121.237 0.541 . . . . 0.0 111.031 -178.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.657 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . . . -92.64 123.42 35.91 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.271 -0.893 . . . . 0.0 110.317 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.802 -1.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' DOA . . . . . 0.493 ' O ' ' HB3' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.734 ' HB3' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.512 2.631 0 CA-C-O 120.962 0.41 . . . . 0.0 110.658 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.549 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER 81.08 60.22 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.214 0 CA-C-O 121.296 0.57 . . . . 0.0 111.406 179.601 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.068 ' CE3' HD11 ' A' ' 7' ' ' LEU . 32.8 p-90 -133.76 -41.77 0.84 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.969 -1.082 . . . . 0.0 111.131 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.668 ' N ' ' CG ' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -61.49 -16.11 44.26 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.047 -1.033 . . . . 0.0 108.719 -178.633 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.624 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -86.79 5.29 37.23 Favored 'General case' 0 C--O 1.211 -0.964 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 176.012 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.752 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 14.4 mt -101.48 -34.33 9.6 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.068 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -116.32 38.34 3.43 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.574 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.559 ' HE3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -54.76 -18.53 4.82 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 121.749 0.785 . . . . 0.0 109.454 178.695 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.497 ' HG3' ' N ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER 177.81 -19.13 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.899 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.674 ' HB ' ' HB3' ' A' ' 13' ' ' ALA . 6.0 m -77.64 15.71 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 O-C-N 121.566 -0.709 . . . . 0.0 111.437 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.678 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.5 mp 43.67 64.74 1.16 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.44 -0.787 . . . . 0.0 109.13 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.623 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.3 OUTLIER 62.25 94.21 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -178.111 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.674 ' HB3' ' HB ' ' A' ' 10' ' ' VAL 0.285 . . -165.26 -1.29 0.03 OUTLIER 'General case' 1 C--O 1.318 4.681 0 N-CA-C 119.285 3.069 . . . . 0.0 119.285 -179.307 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.644 1 CA-C-N 107.222 -4.535 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' DOA . . . . . 0.734 ' O ' ' HB3' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.912 ' HB2' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.524 3.254 0 N-CA-C 110.867 -0.049 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 59.73 62.54 1.69 Allowed 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 -178.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.961 ' HA ' HD22 ' A' ' 6' ' ' LEU . 29.4 p-90 -126.37 -36.2 2.32 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.071 -177.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.659 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -59.43 -19.84 50.46 Favored 'General case' 0 C--N 1.309 -1.168 0 O-C-N 121.197 -0.939 . . . . 0.0 110.632 -178.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.615 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -88.74 12.52 14.72 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 176.683 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.961 HD22 ' HA ' ' A' ' 3' ' ' TRP . 4.6 mp -107.33 -39.5 5.65 Favored 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.861 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -114.12 34.13 4.85 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 177.456 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.615 ' HE2' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -71.81 -7.08 46.14 Favored 'General case' 0 N--CA 1.501 2.077 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.705 -178.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 2.6 ttpt -179.79 -24.26 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.64 -0.662 . . . . 0.0 109.77 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.673 ' CG2' ' HB3' ' A' ' 13' ' ' ALA . 10.9 m -77.43 18.17 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.478 -0.763 . . . . 0.0 111.785 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.576 ' N ' HD12 ' A' ' 11' ' ' LEU . 10.8 mp 45.37 63.08 1.9 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.176 -0.953 . . . . 0.0 110.331 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.665 ' HE3' ' HG ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER 62.03 89.06 0.08 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.828 -0.545 . . . . 0.0 110.867 -179.707 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.673 ' HB3' ' CG2' ' A' ' 10' ' ' VAL . . . -159.61 175.59 13.03 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.357 -0.839 . . . . 0.0 110.411 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 119.673 -1.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' DOA . . . . . 0.912 ' O ' ' HB2' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.9 ' HB2' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.525 3.304 0 CA-C-O 119.927 -0.082 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.41 ' HA ' HD22 ' A' ' 2' ' ' LEU . 0.1 OUTLIER 59.71 59.86 2.39 Favored 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 -178.131 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.784 ' HA ' HD22 ' A' ' 6' ' ' LEU . 24.8 p-90 -122.73 -32.14 3.6 Favored 'General case' 0 N--CA 1.496 1.866 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.148 -177.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.67 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -63.54 -15.64 58.53 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 121.426 -0.796 . . . . 0.0 110.367 -179.273 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.595 HG22 ' CD1' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -94.73 12.38 28.04 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 176.57 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.784 HD22 ' HA ' ' A' ' 3' ' ' TRP . 6.8 mp -107.45 -32.96 7.51 Favored 'General case' 0 N--CA 1.508 2.437 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 178.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.67 ' CD2' ' HA ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -113.03 26.17 10.73 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.003 179.075 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.69 ' HE2' ' CA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -39.9 -35.98 0.41 Allowed 'General case' 0 N--CA 1.502 2.146 0 CA-C-O 121.974 0.892 . . . . 0.0 109.875 -179.184 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -175.55 23.23 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.02 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 6' ' ' LEU . 18.9 m -120.79 11.13 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 O-C-N 121.608 -0.683 . . . . 0.0 110.248 -178.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 11.0 mt 47.16 54.9 8.78 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -178.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.669 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER 67.73 -67.74 0.18 Allowed 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.976 -178.388 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.91 -94.28 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.587 -0.696 . . . . 0.0 110.755 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.135 0 O-C-N 119.251 -2.156 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' DOA . . . . . 0.9 ' O ' ' HB2' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.501 2.124 0 CA-C-O 121.66 0.743 . . . . 0.0 111.618 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 68.1 52.52 0.67 Allowed 'General case' 0 N--CA 1.504 2.231 0 CA-C-O 121.321 0.582 . . . . 0.0 111.818 178.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.805 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 15.9 p-90 -124.12 -29.67 3.56 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.416 -0.803 . . . . 0.0 110.329 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.657 ' HE3' ' CD1' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -71.45 1.0 7.02 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.599 0.714 . . . . 0.0 110.202 179.373 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.592 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -113.82 5.96 16.52 Favored 'General case' 0 C--O 1.199 -1.593 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.438 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.805 ' CD1' ' HA ' ' A' ' 3' ' ' TRP . 12.7 mt -96.05 -45.32 6.95 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.807 HD23 ' C ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -84.04 39.18 0.69 Allowed 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 114.577 -1.192 . . . . 0.0 110.143 177.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.592 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -47.81 -24.33 0.96 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 122.035 0.922 . . . . 0.0 110.39 -179.516 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 174.83 -19.55 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.278 -178.589 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.54 ' CG2' ' HB3' ' A' ' 13' ' ' ALA . 11.3 m -69.33 12.46 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.534 -0.729 . . . . 0.0 112.095 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.9 mt 46.98 59.5 3.97 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.903 . . . . 0.0 109.002 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.61 ' HD2' ' HB3' ' A' ' 7' ' ' LEU . 2.7 mmmm 62.42 95.17 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.365 0.602 . . . . 0.0 110.902 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.54 ' HB3' ' CG2' ' A' ' 10' ' ' VAL . . . -151.72 -52.85 0.12 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.444 -0.785 . . . . 0.0 110.432 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.256 0 O-C-N 119.639 -1.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' DOA . . . . . 0.547 ' O ' ' HB3' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.788 ' HB3' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.501 2.104 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 2' ' ' LEU . 0.3 OUTLIER 65.52 89.16 0.1 Allowed 'General case' 0 N--CA 1.509 2.483 0 CA-C-O 121.885 0.85 . . . . 0.0 112.543 177.161 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.646 ' HA ' HD22 ' A' ' 6' ' ' LEU . 10.4 p-90 -158.13 -34.18 0.07 Allowed 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.267 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.584 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -45.74 -27.65 0.87 Allowed 'General case' 0 N--CA 1.484 1.227 0 O-C-N 121.077 -1.014 . . . . 0.0 110.821 -179.546 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.578 HG23 HD12 ' A' ' 6' ' ' LEU . 13.1 t -85.03 -33.57 22.49 Favored 'General case' 0 C--O 1.202 -1.444 0 O-C-N 121.559 -0.713 . . . . 0.0 109.191 177.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.646 HD22 ' HA ' ' A' ' 3' ' ' TRP . 8.9 mp -51.82 -34.47 40.46 Favored 'General case' 0 N--CA 1.512 2.667 0 O-C-N 121.737 -0.602 . . . . 0.0 111.21 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.806 HD22 ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -109.15 46.92 0.95 Allowed 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 177.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.58 ' HE3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -63.05 -15.44 56.53 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.274 179.795 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 174.57 -22.32 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 121.215 0.531 . . . . 0.0 109.634 -179.298 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.423 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 6.5 m -71.82 8.97 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.679 -0.638 . . . . 0.0 111.951 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.467 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 13.5 mt 46.09 58.13 4.69 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.162 -0.961 . . . . 0.0 108.998 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.753 ' HD2' ' HB3' ' A' ' 7' ' ' LEU . 0.7 OUTLIER 67.87 -64.02 0.3 Allowed 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -178.689 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 12' ' ' LYS . . . 67.99 -73.82 0.08 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.605 -0.684 . . . . 0.0 110.767 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.25 0 O-C-N 119.293 -2.129 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' DOA . . . . . 0.788 ' O ' ' HB3' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 0' ' ' DOA . . . . . . . . 0 N--CA 1.506 2.338 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.545 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER 78.64 57.74 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.331 0 CA-C-O 121.254 0.55 . . . . 0.0 111.786 179.414 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.968 ' CE3' HD11 ' A' ' 7' ' ' LEU . 33.7 p-90 -127.68 -46.24 1.44 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.347 -0.845 . . . . 0.0 109.603 178.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.808 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -56.11 -20.37 17.09 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.375 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.768 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -83.93 8.74 14.11 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 176.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.768 HD12 ' C ' ' A' ' 5' ' ' THR . 7.0 mp -110.42 -31.36 7.31 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.968 HD11 ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -118.51 34.24 5.28 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.009 178.619 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.588 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -47.47 -19.77 0.19 Allowed 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.805 0.812 . . . . 0.0 109.689 178.218 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER 172.49 -16.33 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.568 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.674 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 10.4 m -75.98 12.22 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.204 -1.335 0 O-C-N 121.519 -0.738 . . . . 0.0 111.208 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.45 HD23 ' N ' ' A' ' 11' ' ' LEU . 8.7 mt 44.91 58.76 3.8 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.032 -1.042 . . . . 0.0 109.44 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.608 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 0.6 OUTLIER 65.41 8.41 4.98 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.641 -0.662 . . . . 0.0 111.558 -177.579 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 10' ' ' VAL 0.573 . . -86.39 -138.97 0.09 Allowed 'General case' 1 C--O 1.35 6.361 0 N-CA-C 118.353 2.723 . . . . 0.0 118.353 -178.237 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.419 3.6 1 CA-C-N 105.67 -5.241 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' DOA . . . . . 0.682 ' O ' ' HB3' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_