data_2me4_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 2me4 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 674' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 121.232 0.539 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . 0.757 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 49.8 mm -85.59 -21.1 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.41 -0.806 . . . . 0.0 110.84 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 676' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 8.8 t -49.71 -35.69 22.74 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.881 -1.137 . . . . 0.0 108.929 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -23.83 65.45 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 122.315 1.055 . . . . 0.0 108.684 178.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 678' ' ' TRP . . . . . 0.757 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.262 1.0 OUTLIER -85.22 -44.17 13.14 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 122.277 1.037 . . . . 0.0 109.398 179.32 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 679' ' ' LEU . . . . . 0.727 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.72 -22.41 53.92 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.561 -177.601 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 680' ' ' TRP . . . . . 0.452 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -61.0 -25.16 66.7 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.178 -0.951 . . . . 0.0 109.865 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -79.05 -25.88 43.16 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 121.649 0.737 . . . . 0.0 110.09 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 682' ' ' ILE . . . . . 0.534 ' N ' ' CD1' ' A' ' 682' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 121.683 0.754 . . . . 0.0 109.571 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.242 0.544 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . 0.745 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 51.1 mm -85.47 -22.03 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.336 -0.853 . . . . 0.0 110.991 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 676' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 6.6 p -49.8 -33.65 17.18 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.799 -1.188 . . . . 0.0 108.961 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -23.7 67.21 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 122.38 1.086 . . . . 0.0 108.653 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 678' ' ' TRP . . . . . 0.745 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.261 1.0 OUTLIER -85.11 -43.84 13.52 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 122.276 1.036 . . . . 0.0 109.557 179.408 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 679' ' ' LEU . . . . . 0.724 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.35 -22.85 54.35 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.538 -177.534 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 680' ' ' TRP . . . . . 0.452 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -61.81 -24.41 66.85 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.179 -0.951 . . . . 0.0 109.938 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -80.68 -26.92 37.24 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.497 -0.752 . . . . 0.0 110.06 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 682' ' ' ILE . . . . . 0.534 ' N ' ' CD1' ' A' ' 682' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.659 0.742 . . . . 0.0 109.531 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.282 0.563 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . 0.743 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 49.4 mm -85.55 -21.36 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.385 -0.822 . . . . 0.0 110.809 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 676' ' ' THR . . . . . 0.446 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 10.3 p -49.77 -33.57 16.78 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.863 -1.148 . . . . 0.0 108.959 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -23.28 66.88 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 122.393 1.092 . . . . 0.0 108.623 178.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 678' ' ' TRP . . . . . 0.743 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.261 1.0 OUTLIER -85.74 -44.04 12.86 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-O 122.286 1.041 . . . . 0.0 109.464 179.414 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 679' ' ' LEU . . . . . 0.727 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.38 -22.63 54.55 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.442 -177.445 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 680' ' ' TRP . . . . . 0.446 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -60.68 -25.26 66.25 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.103 -0.998 . . . . 0.0 109.901 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -78.14 -23.83 47.61 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.465 -0.772 . . . . 0.0 110.161 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 682' ' ' ILE . . . . . 0.524 ' N ' ' CD1' ' A' ' 682' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 121.679 0.752 . . . . 0.0 109.678 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 3.4 t0 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.18 0.514 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . 0.756 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.5 mm -85.61 -22.05 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.484 -0.76 . . . . 0.0 110.701 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 676' ' ' THR . . . . . 0.466 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 35.3 p -49.77 -33.41 16.26 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.85 -1.157 . . . . 0.0 109.058 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -23.15 66.65 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 122.31 1.052 . . . . 0.0 108.596 178.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 678' ' ' TRP . . . . . 0.756 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.263 1.0 OUTLIER -85.91 -43.89 12.85 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 122.237 1.018 . . . . 0.0 109.462 179.338 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 679' ' ' LEU . . . . . 0.715 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.66 -22.46 54.01 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.543 -177.559 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 680' ' ' TRP . . . . . 0.466 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.5 t90 -60.71 -25.41 66.41 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.199 -0.938 . . . . 0.0 109.936 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -78.03 -24.91 47.67 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.507 -0.745 . . . . 0.0 110.141 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 682' ' ' ILE . . . . . 0.536 ' N ' ' CD1' ' A' ' 682' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 121.654 0.74 . . . . 0.0 109.645 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.294 0.569 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . 0.75 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.3 mm -85.59 -21.82 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.314 -0.866 . . . . 0.0 110.778 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 676' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 40.5 p -49.81 -33.62 17.15 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.906 -1.121 . . . . 0.0 109.022 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -23.32 66.78 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 122.26 1.029 . . . . 0.0 108.546 178.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 678' ' ' TRP . . . . . 0.75 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.261 1.0 OUTLIER -85.71 -44.01 12.91 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 122.318 1.056 . . . . 0.0 109.45 179.431 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 679' ' ' LEU . . . . . 0.726 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.5 -22.42 54.49 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.601 -177.58 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 680' ' ' TRP . . . . . 0.459 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.5 t90 -60.73 -25.39 66.42 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.204 -0.935 . . . . 0.0 109.911 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -78.21 -24.66 46.96 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.736 0.779 . . . . 0.0 110.158 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 682' ' ' ILE . . . . . 0.537 ' N ' ' CD1' ' A' ' 682' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.713 0.768 . . . . 0.0 109.697 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 1.7 t0 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.29 0.567 . . . . 0.0 110.128 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . 0.749 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 49.6 mm -85.47 -20.86 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.366 -0.834 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 676' ' ' THR . . . . . 0.44 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 8.8 t -49.85 -35.31 22.72 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.837 -1.164 . . . . 0.0 108.955 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.27 -23.7 65.86 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 122.332 1.063 . . . . 0.0 108.677 178.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 678' ' ' TRP . . . . . 0.749 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.262 1.0 OUTLIER -85.42 -44.35 12.83 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-O 122.261 1.029 . . . . 0.0 109.431 179.394 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 679' ' ' LEU . . . . . 0.713 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.12 -22.58 55.34 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.565 -177.565 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 680' ' ' TRP . . . . . 0.44 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -60.81 -25.12 66.35 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.21 -0.931 . . . . 0.0 109.898 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -78.69 -25.14 44.73 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.458 -0.776 . . . . 0.0 110.099 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 682' ' ' ILE . . . . . 0.525 ' N ' ' CD1' ' A' ' 682' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 121.621 0.725 . . . . 0.0 109.63 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 121.419 0.628 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . 0.74 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.8 mm -85.36 -22.46 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.253 -0.904 . . . . 0.0 110.943 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 676' ' ' THR . . . . . 0.471 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 28.6 p -49.71 -33.47 16.06 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.923 -1.111 . . . . 0.0 108.86 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.56 -24.76 67.7 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 122.397 1.094 . . . . 0.0 108.655 178.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 678' ' ' TRP . . . . . 0.74 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.261 1.0 OUTLIER -83.63 -44.59 14.4 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.273 1.035 . . . . 0.0 109.512 179.466 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 679' ' ' LEU . . . . . 0.729 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -75.31 -24.08 57.4 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.311 -177.805 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 680' ' ' TRP . . . . . 0.471 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.5 t90 -62.78 -23.75 67.39 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.052 -1.03 . . . . 0.0 109.388 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -87.75 -32.74 18.97 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.538 0.685 . . . . 0.0 110.106 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 682' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 679' ' ' LEU . 1.1 pp . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.5 -0.75 . . . . 0.0 109.887 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.363 0.601 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . 0.746 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.8 mm -85.53 -21.88 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.389 -0.819 . . . . 0.0 110.911 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 676' ' ' THR . . . . . 0.464 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 4.5 p -49.83 -33.31 16.42 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.865 -1.147 . . . . 0.0 108.943 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -23.47 67.11 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 122.403 1.097 . . . . 0.0 108.596 177.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 678' ' ' TRP . . . . . 0.746 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.263 1.0 OUTLIER -85.56 -43.73 13.26 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 122.304 1.049 . . . . 0.0 109.503 179.452 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 679' ' ' LEU . . . . . 0.727 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.61 -22.6 53.96 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.505 -177.513 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 680' ' ' TRP . . . . . 0.464 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -61.23 -24.86 66.66 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.193 -0.942 . . . . 0.0 109.921 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -79.1 -25.74 43.01 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.379 -0.826 . . . . 0.0 110.053 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 682' ' ' ILE . . . . . 0.537 ' N ' ' CD1' ' A' ' 682' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.616 0.722 . . . . 0.0 109.562 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 38.1 t70 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.256 0.551 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . 0.793 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 2.2 mp -85.53 -15.58 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.337 -0.852 . . . . 0.0 110.738 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 676' ' ' THR . . . . . 0.597 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 8.9 t -53.52 -34.52 58.44 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.469 -1.395 . . . . 0.0 108.106 178.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -23.35 64.68 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 122.552 1.168 . . . . 0.0 108.559 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 678' ' ' TRP . . . . . 0.793 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.283 0.6 OUTLIER -85.1 -39.72 17.61 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-O 122.432 1.111 . . . . 0.0 109.918 -179.984 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 679' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' A' ' 678' ' ' TRP . 0.2 OUTLIER -87.81 -19.84 26.91 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.199 -177.292 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 680' ' ' TRP . . . . . 0.597 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.4 t90 -64.72 -26.27 68.29 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.349 -0.845 . . . . 0.0 109.36 178.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -78.84 -35.71 43.56 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.746 0.784 . . . . 0.0 110.019 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 682' ' ' ILE . . . . . 0.539 ' N ' ' CD1' ' A' ' 682' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 121.628 0.728 . . . . 0.0 109.356 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 121.342 0.591 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . 0.742 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.1 mm -85.49 -20.94 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.316 -0.865 . . . . 0.0 111.031 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 676' ' ' THR . . . . . 0.448 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 9.0 t -49.79 -35.47 22.74 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.871 -1.143 . . . . 0.0 108.879 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -23.78 65.82 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 122.35 1.072 . . . . 0.0 108.685 178.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 678' ' ' TRP . . . . . 0.742 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.263 1.0 OUTLIER -85.46 -43.99 13.11 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 122.252 1.025 . . . . 0.0 109.467 179.349 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 679' ' ' LEU . . . . . 0.728 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.43 -22.51 54.58 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.548 -177.615 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 680' ' ' TRP . . . . . 0.448 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -60.6 -25.51 66.3 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.192 -0.942 . . . . 0.0 109.891 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -77.62 -24.59 49.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.428 -0.795 . . . . 0.0 110.101 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 682' ' ' ILE . . . . . 0.535 ' N ' ' CD1' ' A' ' 682' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.631 0.729 . . . . 0.0 109.63 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.189 0.518 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 7.3 pttm -62.48 111.72 2.15 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.396 -0.815 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -102.46 128.78 48.93 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.34 -0.85 . . . . 0.0 110.242 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 40.8 mt -78.16 -19.01 54.82 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.443 -0.786 . . . . 0.0 110.217 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 3.6 mt -100.78 -0.57 36.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.53 -0.731 . . . . 0.0 110.599 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.18 90.43 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.488 0.661 . . . . 0.0 109.829 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 10.4 mt -50.0 -25.69 3.59 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.765 -0.584 . . . . 0.0 110.691 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -24.54 63.56 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.354 -0.841 . . . . 0.0 109.818 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -99.5 -17.49 17.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.416 -0.803 . . . . 0.0 110.337 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -73.96 -25.58 60.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.26 -0.9 . . . . 0.0 109.949 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -43.41 -32.9 0.94 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.387 -0.821 . . . . 0.0 111.372 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' SER . . . . . 0.41 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 4.3 m -73.69 -34.53 64.91 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.084 -1.01 . . . . 0.0 110.454 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.499 ' HA ' ' NE1' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -71.4 -26.56 62.82 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.297 -0.877 . . . . 0.0 109.331 178.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -75.64 -15.05 60.38 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.409 -0.807 . . . . 0.0 111.377 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 25.4 t -80.48 -28.72 37.5 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.78 -1.2 . . . . 0.0 111.791 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.52 ' CZ3' ' CD2' ' A' ' 673' ' ' PHE . 6.6 p-90 -112.28 -27.51 8.29 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.634 -1.291 . . . . 0.0 110.329 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.52 ' CD2' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.41 42.71 1.08 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.316 -0.865 . . . . 0.0 109.716 179.438 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -89.37 100.87 13.57 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-O 121.232 0.539 . . . . 0.0 110.259 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.757 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 49.8 mm -85.59 -21.1 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.41 -0.806 . . . . 0.0 110.84 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 8.8 t -49.71 -35.69 22.74 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.881 -1.137 . . . . 0.0 108.929 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -23.83 65.45 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 122.315 1.055 . . . . 0.0 108.684 178.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.757 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.262 1.0 OUTLIER -85.22 -44.17 13.14 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 122.277 1.037 . . . . 0.0 109.398 179.32 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.727 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.72 -22.41 53.92 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.561 -177.601 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.452 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -61.0 -25.16 66.7 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.178 -0.951 . . . . 0.0 109.865 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -79.05 -25.88 43.16 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 121.649 0.737 . . . . 0.0 110.09 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.534 ' N ' ' CD1' ' A' ' 682' ' ' ILE . 0.0 OUTLIER -108.28 -69.15 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 CA-C-O 121.683 0.754 . . . . 0.0 109.571 179.796 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.295 -1.774 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.204 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.13 0.49 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.22 84.9 2.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.389 -0.819 . . . . 0.0 110.223 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -102.45 150.22 23.59 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.29 -0.881 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 6.9 mt -59.43 -21.61 60.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.366 -0.834 . . . . 0.0 110.213 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 3.9 mt -101.78 -1.11 33.09 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.5 -0.75 . . . . 0.0 110.607 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.43 90.91 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.684 0 CA-C-O 121.509 0.671 . . . . 0.0 109.716 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 7.8 mt -50.13 -25.62 3.71 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.798 -0.564 . . . . 0.0 110.675 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.37 -23.64 64.46 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.409 -0.807 . . . . 0.0 109.852 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.5 -17.48 17.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.377 -0.827 . . . . 0.0 110.411 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -73.27 -25.26 60.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.308 -0.87 . . . . 0.0 110.012 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -43.37 -32.58 0.86 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.394 -0.816 . . . . 0.0 111.426 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' SER . . . . . 0.405 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 0.9 OUTLIER -73.99 -33.05 63.68 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.073 -1.017 . . . . 0.0 110.411 -179.471 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.5 ' HA ' ' NE1' ' A' ' 672' ' ' TRP . 1.7 mp -72.04 -26.13 62.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.11 -0.994 . . . . 0.0 109.314 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -76.8 -14.7 59.89 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.308 -0.87 . . . . 0.0 111.465 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.12 -29.13 34.9 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.883 -1.136 . . . . 0.0 111.988 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.5 ' NE1' ' HA ' ' A' ' 669' ' ' LEU . 22.5 p-90 -111.97 -24.03 10.18 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.682 -1.261 . . . . 0.0 110.624 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.496 ' CD1' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.25 42.68 1.08 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.252 -0.905 . . . . 0.0 109.837 179.742 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -100.04 94.1 6.09 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-O 121.242 0.544 . . . . 0.0 110.003 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.745 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 51.1 mm -85.47 -22.03 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.336 -0.853 . . . . 0.0 110.991 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 6.6 p -49.8 -33.65 17.18 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.799 -1.188 . . . . 0.0 108.961 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -23.7 67.21 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 122.38 1.086 . . . . 0.0 108.653 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.745 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.261 1.0 OUTLIER -85.11 -43.84 13.52 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 122.276 1.036 . . . . 0.0 109.557 179.408 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.724 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.35 -22.85 54.35 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.538 -177.534 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.452 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -61.81 -24.41 66.85 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.179 -0.951 . . . . 0.0 109.938 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -80.68 -26.92 37.24 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.497 -0.752 . . . . 0.0 110.06 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.534 ' N ' ' CD1' ' A' ' 682' ' ' ILE . 0.0 OUTLIER -106.7 -68.69 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 CA-C-O 121.659 0.742 . . . . 0.0 109.531 179.771 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 1.2 mptt . . . . . 0 C--N 1.294 -1.821 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.126 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.208 0.528 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.95 171.01 14.31 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.358 -0.839 . . . . 0.0 110.143 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -102.55 128.12 49.33 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.333 -0.854 . . . . 0.0 110.277 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 76.9 mt -80.75 -20.2 43.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.394 -0.816 . . . . 0.0 110.151 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 3.1 mt -99.2 -0.09 42.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.51 -0.744 . . . . 0.0 110.585 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.23 90.61 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.556 0.693 . . . . 0.0 109.839 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 13.4 mt -50.08 -25.03 3.06 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.798 -0.564 . . . . 0.0 110.814 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -58.22 -25.35 61.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.267 -0.895 . . . . 0.0 109.896 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.63 -17.43 17.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.385 -0.822 . . . . 0.0 110.341 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -72.67 -25.39 61.25 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.362 -0.836 . . . . 0.0 110.03 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -43.27 -32.83 0.85 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.331 -0.856 . . . . 0.0 111.423 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' SER . . . . . 0.414 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 21.2 p -73.69 -34.23 64.78 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.009 -1.057 . . . . 0.0 110.465 -179.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.487 ' HA ' ' NE1' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -71.38 -25.2 62.26 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.205 -0.934 . . . . 0.0 109.288 179.01 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -78.12 -15.07 59.2 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.473 -0.767 . . . . 0.0 111.542 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 6.9 t -80.26 -29.14 38.32 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.856 -1.152 . . . . 0.0 111.828 -178.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.488 ' CZ3' ' CD1' ' A' ' 673' ' ' PHE . 16.3 p-90 -112.07 -39.32 4.52 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.618 -1.301 . . . . 0.0 110.251 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.488 ' CD1' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.51 42.87 1.08 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.317 -0.864 . . . . 0.0 109.811 179.677 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -80.84 101.73 9.58 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.282 0.563 . . . . 0.0 110.261 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.743 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 49.4 mm -85.55 -21.36 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.385 -0.822 . . . . 0.0 110.809 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.446 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 10.3 p -49.77 -33.57 16.78 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.863 -1.148 . . . . 0.0 108.959 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -23.28 66.88 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 122.393 1.092 . . . . 0.0 108.623 178.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.743 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.261 1.0 OUTLIER -85.74 -44.04 12.86 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-O 122.286 1.041 . . . . 0.0 109.464 179.414 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.727 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.38 -22.63 54.55 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.442 -177.445 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.446 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -60.68 -25.26 66.25 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.103 -0.998 . . . . 0.0 109.901 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -78.14 -23.83 47.61 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.465 -0.772 . . . . 0.0 110.161 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.524 ' N ' ' CD1' ' A' ' 682' ' ' ILE . 0.0 OUTLIER -109.96 -67.53 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 CA-C-O 121.679 0.752 . . . . 0.0 109.678 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt . . . . . 0 C--N 1.295 -1.782 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.157 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.18 0.514 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -63.08 124.88 22.27 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.425 -0.797 . . . . 0.0 110.235 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -102.4 127.28 49.48 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.421 -0.799 . . . . 0.0 110.219 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 81.4 mt -82.93 -19.67 36.82 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.407 -0.808 . . . . 0.0 110.161 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 3.1 mt -101.16 0.94 38.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.552 -0.717 . . . . 0.0 110.67 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -59.98 92.38 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.63 0.729 . . . . 0.0 109.674 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 20.1 mt -49.61 -25.23 2.65 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.741 -0.599 . . . . 0.0 110.803 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.68 -23.97 60.42 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.323 -0.86 . . . . 0.0 109.76 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -99.51 -17.5 17.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.44 -0.787 . . . . 0.0 110.327 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -79.53 -25.27 41.74 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.337 -0.852 . . . . 0.0 109.969 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -43.35 -32.85 0.9 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.417 -0.802 . . . . 0.0 111.455 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 0.9 OUTLIER -73.93 -34.01 64.17 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.174 -0.954 . . . . 0.0 110.444 -179.441 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.504 ' HA ' ' NE1' ' A' ' 672' ' ' TRP . 1.4 mp -71.43 -28.17 63.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.269 -0.894 . . . . 0.0 109.334 178.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.442 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.1 OUTLIER -74.17 -15.42 61.02 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.47 -0.768 . . . . 0.0 111.32 -179.443 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 28.4 t -79.58 -28.39 41.11 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.892 -1.13 . . . . 0.0 111.674 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.518 ' CZ3' ' CD2' ' A' ' 673' ' ' PHE . 4.9 p-90 -112.29 -29.2 7.63 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.598 -1.314 . . . . 0.0 110.031 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.518 ' CD2' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.54 42.66 1.09 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.256 -0.903 . . . . 0.0 109.549 179.209 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -81.54 86.77 6.3 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.746 -0.596 . . . . 0.0 110.483 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.756 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.5 mm -85.61 -22.05 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.484 -0.76 . . . . 0.0 110.701 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.466 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 35.3 p -49.77 -33.41 16.26 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.85 -1.157 . . . . 0.0 109.058 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -23.15 66.65 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 122.31 1.052 . . . . 0.0 108.596 178.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.756 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.263 1.0 OUTLIER -85.91 -43.89 12.85 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 122.237 1.018 . . . . 0.0 109.462 179.338 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.715 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.66 -22.46 54.01 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.543 -177.559 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.466 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.5 t90 -60.71 -25.41 66.41 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.199 -0.938 . . . . 0.0 109.936 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -78.03 -24.91 47.67 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.507 -0.745 . . . . 0.0 110.141 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.536 ' N ' ' CD1' ' A' ' 682' ' ' ILE . 0.0 OUTLIER -108.74 -69.91 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 CA-C-O 121.654 0.74 . . . . 0.0 109.645 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt . . . . . 0 C--N 1.295 -1.783 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.209 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.142 0.496 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -109.03 74.13 0.89 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.36 -0.837 . . . . 0.0 110.222 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.58 132.32 52.0 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.36 -0.837 . . . . 0.0 110.185 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 37.4 mt -82.73 -18.25 41.47 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.452 -0.78 . . . . 0.0 110.392 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 4.7 mt -103.05 -2.71 27.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.503 -0.748 . . . . 0.0 110.766 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -63.17 88.34 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.64 -0.663 . . . . 0.0 109.861 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 10.5 mt -50.29 -26.1 4.44 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.649 -0.657 . . . . 0.0 110.625 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -64.24 -30.07 71.14 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.493 -0.754 . . . . 0.0 109.832 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -92.64 -17.72 23.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.392 -0.817 . . . . 0.0 110.541 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . 0.415 ' CE3' HD11 ' A' ' 669' ' ' LEU . 32.5 m95 -65.48 -25.02 67.3 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.244 -0.91 . . . . 0.0 110.044 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -43.29 -33.03 0.89 Allowed 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.397 -0.815 . . . . 0.0 111.315 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' SER . . . . . 0.407 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 5.0 m -73.79 -35.17 64.9 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.149 -0.969 . . . . 0.0 110.432 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.486 ' HA ' ' NE1' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -70.94 -26.25 63.1 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.212 -0.93 . . . . 0.0 109.294 178.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 34.5 m95 -75.62 -15.23 60.36 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.427 -0.795 . . . . 0.0 111.363 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 15.3 t -80.15 -28.94 38.76 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.797 -1.19 . . . . 0.0 111.713 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.518 ' CZ3' ' CD2' ' A' ' 673' ' ' PHE . 5.1 p-90 -112.24 -28.97 7.73 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.669 -1.269 . . . . 0.0 110.276 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.518 ' CD2' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.52 42.57 1.09 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.298 -0.876 . . . . 0.0 109.553 179.367 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -79.57 95.26 5.82 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-O 121.294 0.569 . . . . 0.0 110.527 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.75 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.3 mm -85.59 -21.82 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.314 -0.866 . . . . 0.0 110.778 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 40.5 p -49.81 -33.62 17.15 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.906 -1.121 . . . . 0.0 109.022 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -23.32 66.78 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 122.26 1.029 . . . . 0.0 108.546 178.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.75 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.261 1.0 OUTLIER -85.71 -44.01 12.91 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 122.318 1.056 . . . . 0.0 109.45 179.431 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.726 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.5 -22.42 54.49 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.601 -177.58 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.459 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.5 t90 -60.73 -25.39 66.42 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.204 -0.935 . . . . 0.0 109.911 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -78.21 -24.66 46.96 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.736 0.779 . . . . 0.0 110.158 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.537 ' N ' ' CD1' ' A' ' 682' ' ' ILE . 0.0 OUTLIER -109.34 -68.57 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 CA-C-O 121.713 0.768 . . . . 0.0 109.697 179.791 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.295 -1.796 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.13 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.217 0.532 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -135.59 40.97 2.77 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.325 -0.86 . . . . 0.0 110.183 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -95.42 129.75 42.47 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.298 -0.876 . . . . 0.0 110.242 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 60.0 mt -79.86 -16.95 54.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.374 -0.829 . . . . 0.0 110.331 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 4.6 mt -103.28 -2.02 27.84 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.454 -0.779 . . . . 0.0 110.727 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.34 88.28 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.432 0.634 . . . . 0.0 110.002 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 75.6 mt -50.39 -25.84 4.32 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.689 -0.632 . . . . 0.0 110.66 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -60.84 -28.07 68.55 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.426 -0.796 . . . . 0.0 109.994 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -97.41 -17.45 19.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.496 -0.752 . . . . 0.0 110.541 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . 0.413 ' CE3' HD12 ' A' ' 669' ' ' LEU . 36.7 m95 -67.7 -25.65 65.78 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.196 -0.94 . . . . 0.0 109.977 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -43.2 -33.02 0.84 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.328 -0.857 . . . . 0.0 111.36 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 2.2 m -73.82 -34.15 64.45 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.142 -0.974 . . . . 0.0 110.483 -179.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.487 ' HA ' ' NE1' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -71.18 -25.39 62.51 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.224 -0.923 . . . . 0.0 109.27 178.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 53.5 m95 -77.29 -15.12 59.58 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.411 -0.806 . . . . 0.0 111.442 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.37 -29.29 37.88 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.756 -1.215 . . . . 0.0 111.821 -178.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.509 ' CZ3' ' CD1' ' A' ' 673' ' ' PHE . 12.9 p-90 -112.12 -31.86 6.74 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.776 -1.202 . . . . 0.0 110.284 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.509 ' CD1' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.38 42.73 1.08 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.338 -0.851 . . . . 0.0 109.814 179.665 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -85.19 103.86 14.54 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-O 121.29 0.567 . . . . 0.0 110.128 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.749 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 49.6 mm -85.47 -20.86 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.366 -0.834 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.44 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 8.8 t -49.85 -35.31 22.72 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.837 -1.164 . . . . 0.0 108.955 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.27 -23.7 65.86 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 122.332 1.063 . . . . 0.0 108.677 178.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.749 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.262 1.0 OUTLIER -85.42 -44.35 12.83 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-O 122.261 1.029 . . . . 0.0 109.431 179.394 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.713 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.12 -22.58 55.34 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.565 -177.565 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.44 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -60.81 -25.12 66.35 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.21 -0.931 . . . . 0.0 109.898 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -78.69 -25.14 44.73 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.458 -0.776 . . . . 0.0 110.099 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.525 ' N ' ' CD1' ' A' ' 682' ' ' ILE . 0.0 OUTLIER -108.62 -69.48 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 CA-C-O 121.621 0.725 . . . . 0.0 109.63 179.828 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 7.1 mttt . . . . . 0 C--N 1.294 -1.812 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.173 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.21 0.529 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 3.4 pptp? -164.0 116.2 1.38 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.385 -0.822 . . . . 0.0 110.224 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -102.53 130.11 49.27 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.344 -0.848 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.72 -16.88 62.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.361 -0.837 . . . . 0.0 110.494 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 4.5 mt -103.02 -1.98 28.35 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.412 -0.805 . . . . 0.0 110.705 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.65 89.9 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.662 -0.649 . . . . 0.0 109.819 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 7.8 mt -50.18 -25.91 4.07 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.758 -0.589 . . . . 0.0 110.69 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.58 -23.17 65.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.359 -0.838 . . . . 0.0 109.977 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -99.5 -17.61 17.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.436 -0.79 . . . . 0.0 110.408 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -69.19 -24.89 64.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.299 -0.876 . . . . 0.0 110.031 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -43.32 -32.61 0.84 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.318 -0.864 . . . . 0.0 111.332 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' SER . . . . . 0.404 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 0.3 OUTLIER -73.99 -33.1 63.7 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.098 -1.001 . . . . 0.0 110.442 -179.454 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.494 ' HA ' ' NE1' ' A' ' 672' ' ' TRP . 1.6 mp -71.6 -25.71 62.29 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.258 -0.901 . . . . 0.0 109.316 179.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.402 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 4.9 m95 -76.98 -14.83 59.8 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.448 -0.783 . . . . 0.0 111.496 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.2 m -80.95 -29.25 35.44 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.861 -1.149 . . . . 0.0 111.871 -178.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.505 ' CZ3' ' CD1' ' A' ' 673' ' ' PHE . 17.0 p-90 -111.96 -27.03 8.59 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.675 -1.266 . . . . 0.0 110.436 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.505 ' CD1' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.31 42.71 1.08 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.294 -0.879 . . . . 0.0 109.869 179.736 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -88.37 105.19 17.42 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-O 121.419 0.628 . . . . 0.0 110.085 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.74 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.8 mm -85.36 -22.46 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.253 -0.904 . . . . 0.0 110.943 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.471 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 28.6 p -49.71 -33.47 16.06 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.923 -1.111 . . . . 0.0 108.86 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.56 -24.76 67.7 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 122.397 1.094 . . . . 0.0 108.655 178.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.74 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.261 1.0 OUTLIER -83.63 -44.59 14.4 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.273 1.035 . . . . 0.0 109.512 179.466 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.729 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -75.31 -24.08 57.4 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.311 -177.805 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.471 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.5 t90 -62.78 -23.75 67.39 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.052 -1.03 . . . . 0.0 109.388 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -87.75 -32.74 18.97 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.538 0.685 . . . . 0.0 110.106 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 683' ' ' LYS . 1.1 pp -86.28 -23.67 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.5 -0.75 . . . . 0.0 109.887 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . 0.468 ' N ' HG13 ' A' ' 682' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.292 -1.894 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.436 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.213 0.53 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 4.5 tttt 52.91 80.89 0.09 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.318 -0.864 . . . . 0.0 110.391 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -102.26 129.85 48.78 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.352 -0.843 . . . . 0.0 110.267 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 78.7 mt -73.61 -16.7 61.23 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.42 -0.8 . . . . 0.0 110.166 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 4.1 mt -102.54 -1.52 30.31 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.46 -0.775 . . . . 0.0 110.602 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.46 91.04 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.466 0.65 . . . . 0.0 109.752 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 2.9 mt -49.9 -26.19 3.89 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.807 -0.558 . . . . 0.0 110.722 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.4 -22.76 65.29 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.448 -0.782 . . . . 0.0 109.857 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -99.55 -17.36 17.9 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.443 -0.786 . . . . 0.0 110.365 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -74.65 -25.15 59.02 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.324 -0.86 . . . . 0.0 109.963 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -43.45 -32.94 0.97 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.388 -0.82 . . . . 0.0 111.344 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 8.0 t -73.88 -33.8 64.2 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.131 -0.981 . . . . 0.0 110.491 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.501 ' HA ' ' NE1' ' A' ' 672' ' ' TRP . 1.9 mp -72.18 -26.32 62.02 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.255 -0.903 . . . . 0.0 109.347 179.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 14.0 m95 -76.75 -14.78 59.9 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.379 -0.826 . . . . 0.0 111.493 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.74 -28.89 36.39 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.867 -1.145 . . . . 0.0 111.849 -178.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.501 ' NE1' ' HA ' ' A' ' 669' ' ' LEU . 19.0 p-90 -111.93 -26.14 9.06 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.714 -1.241 . . . . 0.0 110.374 179.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.5 ' CD1' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.36 42.74 1.08 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.27 -0.893 . . . . 0.0 109.754 179.745 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -89.2 105.08 17.56 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-O 121.363 0.601 . . . . 0.0 110.16 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.746 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.8 mm -85.53 -21.88 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.389 -0.819 . . . . 0.0 110.911 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.464 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 4.5 p -49.83 -33.31 16.42 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.865 -1.147 . . . . 0.0 108.943 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -23.47 67.11 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 122.403 1.097 . . . . 0.0 108.596 177.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.746 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.263 1.0 OUTLIER -85.56 -43.73 13.26 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 122.304 1.049 . . . . 0.0 109.503 179.452 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.727 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.61 -22.6 53.96 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.505 -177.513 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.464 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -61.23 -24.86 66.66 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.193 -0.942 . . . . 0.0 109.921 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -79.1 -25.74 43.01 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.379 -0.826 . . . . 0.0 110.053 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.537 ' N ' ' CD1' ' A' ' 682' ' ' ILE . 0.0 OUTLIER -108.12 -69.55 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 CA-C-O 121.616 0.722 . . . . 0.0 109.562 179.786 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt . . . . . 0 C--N 1.294 -1.812 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.129 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.165 0.507 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -110.41 45.36 1.13 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.391 -0.818 . . . . 0.0 110.237 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -83.52 151.7 25.27 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.421 -0.799 . . . . 0.0 110.212 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 23.9 mt -60.16 -20.69 59.66 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.425 -0.797 . . . . 0.0 110.292 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 4.5 mt -105.37 -0.61 25.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.519 -0.738 . . . . 0.0 110.688 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.33 90.95 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.456 0.646 . . . . 0.0 109.86 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 5.2 mt -49.87 -26.3 3.94 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.838 -0.538 . . . . 0.0 110.622 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -61.9 -22.62 65.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.369 -0.832 . . . . 0.0 109.785 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.39 -17.47 17.97 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.444 -0.785 . . . . 0.0 110.324 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -77.16 -27.47 53.77 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.372 -0.83 . . . . 0.0 109.918 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -43.38 -34.69 1.32 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.489 -0.757 . . . . 0.0 111.145 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' SER . . . . . 0.45 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 45.8 m -73.14 -38.84 66.12 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.023 -1.048 . . . . 0.0 110.325 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.489 ' HA ' ' NE1' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -73.94 -30.26 62.46 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.236 -0.915 . . . . 0.0 109.137 178.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.411 ' CH2' ' OD1' ' A' ' 674' ' ' ASP . 10.5 t-105 -73.83 -13.71 60.97 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.473 -0.767 . . . . 0.0 111.138 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 13.6 t -82.84 -29.34 29.52 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.769 -1.207 . . . . 0.0 112.126 -178.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.501 ' CZ3' ' CD1' ' A' ' 673' ' ' PHE . 29.1 p-90 -111.49 -18.96 12.72 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.554 -1.341 . . . . 0.0 110.898 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.501 ' CD1' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.26 42.94 1.08 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.127 -0.983 . . . . 0.0 109.826 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . 0.411 ' OD1' ' CH2' ' A' ' 670' ' ' TRP . 38.1 t70 -95.07 92.09 6.66 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.256 0.551 . . . . 0.0 110.154 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.793 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 2.2 mp -85.53 -15.58 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.337 -0.852 . . . . 0.0 110.738 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.597 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 8.9 t -53.52 -34.52 58.44 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.469 -1.395 . . . . 0.0 108.106 178.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -23.35 64.68 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 122.552 1.168 . . . . 0.0 108.559 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.793 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.283 0.6 OUTLIER -85.1 -39.72 17.61 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-O 122.432 1.111 . . . . 0.0 109.918 -179.984 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' A' ' 678' ' ' TRP . 0.2 OUTLIER -87.81 -19.84 26.91 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.199 -177.292 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.597 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.4 t90 -64.72 -26.27 68.29 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.349 -0.845 . . . . 0.0 109.36 178.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -78.84 -35.71 43.56 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.746 0.784 . . . . 0.0 110.019 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.539 ' N ' ' CD1' ' A' ' 682' ' ' ILE . 0.0 OUTLIER -96.3 -67.88 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 CA-C-O 121.628 0.728 . . . . 0.0 109.356 179.631 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.295 -1.784 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.149 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.283 0.563 . . . . 0.0 110.179 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 52.11 66.91 1.07 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.294 -0.879 . . . . 0.0 110.539 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -102.49 151.05 22.76 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.318 -0.864 . . . . 0.0 110.262 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 16.8 mt -61.69 -21.52 64.53 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.31 -0.869 . . . . 0.0 110.25 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 4.7 mt -103.94 -1.8 27.07 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.522 -0.737 . . . . 0.0 110.689 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.22 88.0 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.497 0.665 . . . . 0.0 109.919 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 22.5 mt -50.37 -26.3 4.79 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.677 -0.639 . . . . 0.0 110.611 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -66.83 -25.92 66.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.418 -0.801 . . . . 0.0 109.857 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.07 -17.65 21.68 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.405 -0.809 . . . . 0.0 110.31 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 33.6 m95 -66.31 -24.27 66.51 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.357 -0.84 . . . . 0.0 110.068 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -43.29 -32.66 0.83 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.394 -0.816 . . . . 0.0 111.334 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' SER . . . . . 0.406 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 6.1 m -74.16 -32.67 63.21 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.126 -0.984 . . . . 0.0 110.301 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.489 ' HA ' ' NE1' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -71.69 -26.44 62.51 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.144 -0.973 . . . . 0.0 109.243 179.039 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -76.27 -14.63 60.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.361 -0.837 . . . . 0.0 111.424 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 18.4 m -81.21 -29.38 34.54 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.832 -1.168 . . . . 0.0 111.985 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.495 ' CZ3' ' CD1' ' A' ' 673' ' ' PHE . 17.9 p-90 -112.07 -24.96 9.6 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.705 -1.247 . . . . 0.0 110.598 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.495 ' CD1' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.35 42.88 1.08 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.172 -0.955 . . . . 0.0 109.924 179.717 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -88.98 105.51 17.83 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 121.342 0.591 . . . . 0.0 110.047 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.742 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.1 mm -85.49 -20.94 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.316 -0.865 . . . . 0.0 111.031 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.448 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 9.0 t -49.79 -35.47 22.74 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.871 -1.143 . . . . 0.0 108.879 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -23.78 65.82 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 122.35 1.072 . . . . 0.0 108.685 178.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.742 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.263 1.0 OUTLIER -85.46 -43.99 13.11 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 122.252 1.025 . . . . 0.0 109.467 179.349 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.728 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.43 -22.51 54.58 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.548 -177.615 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.448 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -60.6 -25.51 66.3 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.192 -0.942 . . . . 0.0 109.891 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -77.62 -24.59 49.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.428 -0.795 . . . . 0.0 110.101 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.535 ' N ' ' CD1' ' A' ' 682' ' ' ILE . 0.0 OUTLIER -109.0 -70.18 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 CA-C-O 121.631 0.729 . . . . 0.0 109.63 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 10.5 mttt . . . . . 0 C--N 1.294 -1.831 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.171 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 674' ' ' ASP . . . . . 0.539 ' OD1' HG22 ' A' ' 676' ' ' THR . 1.4 t0 . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 121.232 0.539 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 675' ' ' ILE . . . . . 0.778 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 49.8 mm -85.59 -21.1 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.41 -0.806 . . . . 0.0 110.84 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 676' ' ' THR . . . . . 0.539 HG22 ' OD1' ' A' ' 674' ' ' ASP . 8.8 t -49.71 -35.69 22.74 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.881 -1.137 . . . . 0.0 108.929 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 677' ' ' LYS . . . . . 0.443 ' N ' HG23 ' A' ' 676' ' ' THR . 0.2 OUTLIER -60.86 -23.83 65.45 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 122.315 1.055 . . . . 0.0 108.684 178.109 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 678' ' ' TRP . . . . . 0.778 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.262 1.0 OUTLIER -85.22 -44.17 13.14 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 122.277 1.037 . . . . 0.0 109.398 179.32 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 679' ' ' LEU . . . . . 0.727 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.72 -22.41 53.92 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.561 -177.601 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 680' ' ' TRP . . . . . 0.466 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -61.0 -25.16 66.7 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.178 -0.951 . . . . 0.0 109.865 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.489 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.7 OUTLIER -79.05 -25.88 43.16 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 121.649 0.737 . . . . 0.0 110.09 179.667 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 682' ' ' ILE . . . . . 0.684 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 121.683 0.754 . . . . 0.0 109.571 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.242 0.544 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 675' ' ' ILE . . . . . 0.764 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 51.1 mm -85.47 -22.03 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.336 -0.853 . . . . 0.0 110.991 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 676' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 6.6 p -49.8 -33.65 17.18 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.799 -1.188 . . . . 0.0 108.961 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -23.7 67.21 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 122.38 1.086 . . . . 0.0 108.653 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 678' ' ' TRP . . . . . 0.764 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.261 1.0 OUTLIER -85.11 -43.84 13.52 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 122.276 1.036 . . . . 0.0 109.557 179.408 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 679' ' ' LEU . . . . . 0.724 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.35 -22.85 54.35 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.538 -177.534 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 680' ' ' TRP . . . . . 0.463 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -61.81 -24.41 66.85 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.179 -0.951 . . . . 0.0 109.938 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.491 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.5 OUTLIER -80.68 -26.92 37.24 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.497 -0.752 . . . . 0.0 110.06 179.766 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 682' ' ' ILE . . . . . 0.678 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.659 0.742 . . . . 0.0 109.531 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.282 0.563 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 675' ' ' ILE . . . . . 0.763 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 49.4 mm -85.55 -21.36 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.385 -0.822 . . . . 0.0 110.809 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 676' ' ' THR . . . . . 0.456 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 10.3 p -49.77 -33.57 16.78 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.863 -1.148 . . . . 0.0 108.959 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -23.28 66.88 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 122.393 1.092 . . . . 0.0 108.623 178.035 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 678' ' ' TRP . . . . . 0.763 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.261 1.0 OUTLIER -85.74 -44.04 12.86 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-O 122.286 1.041 . . . . 0.0 109.464 179.414 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 679' ' ' LEU . . . . . 0.727 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.38 -22.63 54.55 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.442 -177.445 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 680' ' ' TRP . . . . . 0.456 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -60.68 -25.26 66.25 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.103 -0.998 . . . . 0.0 109.901 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.528 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.5 OUTLIER -78.14 -23.83 47.61 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.465 -0.772 . . . . 0.0 110.161 179.674 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 682' ' ' ILE . . . . . 0.683 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 121.679 0.752 . . . . 0.0 109.678 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 3.4 t0 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.18 0.514 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 675' ' ' ILE . . . . . 0.774 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.5 mm -85.61 -22.05 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.484 -0.76 . . . . 0.0 110.701 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 676' ' ' THR . . . . . 0.474 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 35.3 p -49.77 -33.41 16.26 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.85 -1.157 . . . . 0.0 109.058 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -23.15 66.65 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 122.31 1.052 . . . . 0.0 108.596 178.051 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 678' ' ' TRP . . . . . 0.774 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.263 1.0 OUTLIER -85.91 -43.89 12.85 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 122.237 1.018 . . . . 0.0 109.462 179.338 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 679' ' ' LEU . . . . . 0.715 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.66 -22.46 54.01 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.543 -177.559 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 680' ' ' TRP . . . . . 0.474 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.5 t90 -60.71 -25.41 66.41 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.199 -0.938 . . . . 0.0 109.936 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.505 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.6 OUTLIER -78.03 -24.91 47.67 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.507 -0.745 . . . . 0.0 110.141 179.676 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 682' ' ' ILE . . . . . 0.683 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 121.654 0.74 . . . . 0.0 109.645 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.294 0.569 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 675' ' ' ILE . . . . . 0.769 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.3 mm -85.59 -21.82 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.314 -0.866 . . . . 0.0 110.778 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 676' ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 40.5 p -49.81 -33.62 17.15 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.906 -1.121 . . . . 0.0 109.022 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -23.32 66.78 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 122.26 1.029 . . . . 0.0 108.546 178.073 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 678' ' ' TRP . . . . . 0.769 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.261 1.0 OUTLIER -85.71 -44.01 12.91 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 122.318 1.056 . . . . 0.0 109.45 179.431 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 679' ' ' LEU . . . . . 0.726 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.5 -22.42 54.49 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.601 -177.58 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 680' ' ' TRP . . . . . 0.47 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.5 t90 -60.73 -25.39 66.42 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.204 -0.935 . . . . 0.0 109.911 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.502 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.6 OUTLIER -78.21 -24.66 46.96 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.736 0.779 . . . . 0.0 110.158 179.69 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 682' ' ' ILE . . . . . 0.685 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.713 0.768 . . . . 0.0 109.697 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 674' ' ' ASP . . . . . 0.546 ' OD1' HG22 ' A' ' 676' ' ' THR . 1.7 t0 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.29 0.567 . . . . 0.0 110.128 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 675' ' ' ILE . . . . . 0.768 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 49.6 mm -85.47 -20.86 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.366 -0.834 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 676' ' ' THR . . . . . 0.546 HG22 ' OD1' ' A' ' 674' ' ' ASP . 8.8 t -49.85 -35.31 22.72 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.837 -1.164 . . . . 0.0 108.955 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 677' ' ' LYS . . . . . 0.451 ' N ' HG23 ' A' ' 676' ' ' THR . 0.2 OUTLIER -61.27 -23.7 65.86 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 122.332 1.063 . . . . 0.0 108.677 178.042 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 678' ' ' TRP . . . . . 0.768 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.262 1.0 OUTLIER -85.42 -44.35 12.83 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-O 122.261 1.029 . . . . 0.0 109.431 179.394 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 679' ' ' LEU . . . . . 0.713 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.12 -22.58 55.34 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.565 -177.565 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 680' ' ' TRP . . . . . 0.453 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -60.81 -25.12 66.35 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.21 -0.931 . . . . 0.0 109.898 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.496 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.7 OUTLIER -78.69 -25.14 44.73 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.458 -0.776 . . . . 0.0 110.099 179.755 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 682' ' ' ILE . . . . . 0.687 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 121.621 0.725 . . . . 0.0 109.63 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 121.419 0.628 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 675' ' ' ILE . . . . . 0.757 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.8 mm -85.36 -22.46 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.253 -0.904 . . . . 0.0 110.943 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 676' ' ' THR . . . . . 0.484 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 28.6 p -49.71 -33.47 16.06 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.923 -1.111 . . . . 0.0 108.86 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.56 -24.76 67.7 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 122.397 1.094 . . . . 0.0 108.655 178.024 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 678' ' ' TRP . . . . . 0.757 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.261 1.0 OUTLIER -83.63 -44.59 14.4 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.273 1.035 . . . . 0.0 109.512 179.466 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 679' ' ' LEU . . . . . 0.729 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -75.31 -24.08 57.4 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.311 -177.805 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 680' ' ' TRP . . . . . 0.484 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.5 t90 -62.78 -23.75 67.39 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.052 -1.03 . . . . 0.0 109.388 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -87.75 -32.74 18.97 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.538 0.685 . . . . 0.0 110.106 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 682' ' ' ILE . . . . . 0.48 HG23 ' O ' ' A' ' 678' ' ' TRP . 1.1 pp . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.5 -0.75 . . . . 0.0 109.887 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.363 0.601 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 675' ' ' ILE . . . . . 0.764 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.8 mm -85.53 -21.88 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.389 -0.819 . . . . 0.0 110.911 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 676' ' ' THR . . . . . 0.475 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 4.5 p -49.83 -33.31 16.42 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.865 -1.147 . . . . 0.0 108.943 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -23.47 67.11 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 122.403 1.097 . . . . 0.0 108.596 177.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 678' ' ' TRP . . . . . 0.764 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.263 1.0 OUTLIER -85.56 -43.73 13.26 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 122.304 1.049 . . . . 0.0 109.503 179.452 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 679' ' ' LEU . . . . . 0.727 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.61 -22.6 53.96 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.505 -177.513 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 680' ' ' TRP . . . . . 0.475 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -61.23 -24.86 66.66 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.193 -0.942 . . . . 0.0 109.921 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.495 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.7 OUTLIER -79.1 -25.74 43.01 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.379 -0.826 . . . . 0.0 110.053 179.671 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 682' ' ' ILE . . . . . 0.672 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.616 0.722 . . . . 0.0 109.562 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 674' ' ' ASP . . . . . 0.507 ' OD1' HG22 ' A' ' 676' ' ' THR . 38.1 t70 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.256 0.551 . . . . 0.0 110.154 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 675' ' ' ILE . . . . . 0.819 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 2.2 mp -85.53 -15.58 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.337 -0.852 . . . . 0.0 110.738 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 676' ' ' THR . . . . . 0.611 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 8.9 t -53.52 -34.52 58.44 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.469 -1.395 . . . . 0.0 108.106 178.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 677' ' ' LYS . . . . . 0.426 ' N ' HG23 ' A' ' 676' ' ' THR . 0.0 OUTLIER -60.63 -23.35 64.68 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 122.552 1.168 . . . . 0.0 108.559 177.628 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 678' ' ' TRP . . . . . 0.819 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.283 0.6 OUTLIER -85.1 -39.72 17.61 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-O 122.432 1.111 . . . . 0.0 109.918 -179.984 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 679' ' ' LEU . . . . . 0.604 ' N ' HD23 ' A' ' 679' ' ' LEU . 0.2 OUTLIER -87.81 -19.84 26.91 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.199 -177.292 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 680' ' ' TRP . . . . . 0.611 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.4 t90 -64.72 -26.27 68.29 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.349 -0.845 . . . . 0.0 109.36 178.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.402 ' HB3' HD13 ' A' ' 682' ' ' ILE . 0.5 OUTLIER -78.84 -35.71 43.56 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.746 0.784 . . . . 0.0 110.019 179.785 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 682' ' ' ILE . . . . . 0.698 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 121.628 0.728 . . . . 0.0 109.356 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 121.342 0.591 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 675' ' ' ILE . . . . . 0.757 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.1 mm -85.49 -20.94 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.316 -0.865 . . . . 0.0 111.031 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 676' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 9.0 t -49.79 -35.47 22.74 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.871 -1.143 . . . . 0.0 108.879 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 677' ' ' LYS . . . . . 0.453 ' N ' HG23 ' A' ' 676' ' ' THR . 0.0 OUTLIER -61.17 -23.78 65.82 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 122.35 1.072 . . . . 0.0 108.685 178.1 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 678' ' ' TRP . . . . . 0.757 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.263 1.0 OUTLIER -85.46 -43.99 13.11 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 122.252 1.025 . . . . 0.0 109.467 179.349 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 679' ' ' LEU . . . . . 0.728 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.43 -22.51 54.58 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.548 -177.615 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 680' ' ' TRP . . . . . 0.457 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -60.6 -25.51 66.3 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.192 -0.942 . . . . 0.0 109.891 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.511 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.4 OUTLIER -77.62 -24.59 49.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.428 -0.795 . . . . 0.0 110.101 179.778 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 682' ' ' ILE . . . . . 0.692 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.631 0.729 . . . . 0.0 109.63 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.189 0.518 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 7.3 pttm -62.48 111.72 2.15 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.396 -0.815 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 659' ' ' ASP . . . . . 0.857 ' HB2' ' HB2' ' A' ' 662' ' ' ALA . 66.6 m-20 -102.46 128.78 48.93 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.34 -0.85 . . . . 0.0 110.242 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 40.8 mt -78.16 -19.01 54.82 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.443 -0.786 . . . . 0.0 110.217 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 3.6 mt -100.78 -0.57 36.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.53 -0.731 . . . . 0.0 110.599 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 662' ' ' ALA . . . . . 0.857 ' HB2' ' HB2' ' A' ' 659' ' ' ASP . . . -60.18 90.43 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.488 0.661 . . . . 0.0 109.829 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 10.4 mt -50.0 -25.69 3.59 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.765 -0.584 . . . . 0.0 110.691 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -24.54 63.56 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.354 -0.841 . . . . 0.0 109.818 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -99.5 -17.49 17.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.416 -0.803 . . . . 0.0 110.337 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -73.96 -25.58 60.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.26 -0.9 . . . . 0.0 109.949 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -43.41 -32.9 0.94 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.387 -0.821 . . . . 0.0 111.372 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 668' ' ' SER . . . . . 0.41 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 4.3 m -73.69 -34.53 64.91 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.084 -1.01 . . . . 0.0 110.454 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.636 HD23 ' CZ2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -71.4 -26.56 62.82 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.297 -0.877 . . . . 0.0 109.331 178.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -75.64 -15.05 60.38 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.409 -0.807 . . . . 0.0 111.377 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 25.4 t -80.48 -28.72 37.5 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.78 -1.2 . . . . 0.0 111.791 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.636 ' CZ2' HD23 ' A' ' 669' ' ' LEU . 6.6 p-90 -112.28 -27.51 8.29 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.634 -1.291 . . . . 0.0 110.329 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.52 ' CD2' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.41 42.71 1.08 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.316 -0.865 . . . . 0.0 109.716 179.438 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 674' ' ' ASP . . . . . 0.539 ' OD1' HG22 ' A' ' 676' ' ' THR . 1.4 t0 -89.37 100.87 13.57 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-O 121.232 0.539 . . . . 0.0 110.259 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.778 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 49.8 mm -85.59 -21.1 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.41 -0.806 . . . . 0.0 110.84 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.539 HG22 ' OD1' ' A' ' 674' ' ' ASP . 8.8 t -49.71 -35.69 22.74 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.881 -1.137 . . . . 0.0 108.929 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 677' ' ' LYS . . . . . 0.443 ' N ' HG23 ' A' ' 676' ' ' THR . 0.2 OUTLIER -60.86 -23.83 65.45 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 122.315 1.055 . . . . 0.0 108.684 178.109 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.778 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.262 1.0 OUTLIER -85.22 -44.17 13.14 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 122.277 1.037 . . . . 0.0 109.398 179.32 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.727 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.72 -22.41 53.92 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.561 -177.601 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.466 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -61.0 -25.16 66.7 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.178 -0.951 . . . . 0.0 109.865 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.489 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.7 OUTLIER -79.05 -25.88 43.16 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 121.649 0.737 . . . . 0.0 110.09 179.667 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.684 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -108.28 -69.15 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 CA-C-O 121.683 0.754 . . . . 0.0 109.571 179.796 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.295 -1.774 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.204 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.13 0.49 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.22 84.9 2.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.389 -0.819 . . . . 0.0 110.223 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -102.45 150.22 23.59 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.29 -0.881 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 6.9 mt -59.43 -21.61 60.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.366 -0.834 . . . . 0.0 110.213 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 3.9 mt -101.78 -1.11 33.09 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.5 -0.75 . . . . 0.0 110.607 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.43 90.91 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.684 0 CA-C-O 121.509 0.671 . . . . 0.0 109.716 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 7.8 mt -50.13 -25.62 3.71 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.798 -0.564 . . . . 0.0 110.675 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.37 -23.64 64.46 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.409 -0.807 . . . . 0.0 109.852 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.5 -17.48 17.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.377 -0.827 . . . . 0.0 110.411 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -73.27 -25.26 60.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.308 -0.87 . . . . 0.0 110.012 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -43.37 -32.58 0.86 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.394 -0.816 . . . . 0.0 111.426 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 668' ' ' SER . . . . . 0.405 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 0.9 OUTLIER -73.99 -33.05 63.68 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.073 -1.017 . . . . 0.0 110.411 -179.471 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.523 ' HA ' ' NE1' ' A' ' 672' ' ' TRP . 1.7 mp -72.04 -26.13 62.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.11 -0.994 . . . . 0.0 109.314 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -76.8 -14.7 59.89 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.308 -0.87 . . . . 0.0 111.465 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.12 -29.13 34.9 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.883 -1.136 . . . . 0.0 111.988 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.523 ' NE1' ' HA ' ' A' ' 669' ' ' LEU . 22.5 p-90 -111.97 -24.03 10.18 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.682 -1.261 . . . . 0.0 110.624 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.496 ' CD1' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.25 42.68 1.08 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.252 -0.905 . . . . 0.0 109.837 179.742 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -100.04 94.1 6.09 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-O 121.242 0.544 . . . . 0.0 110.003 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.764 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 51.1 mm -85.47 -22.03 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.336 -0.853 . . . . 0.0 110.991 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 6.6 p -49.8 -33.65 17.18 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.799 -1.188 . . . . 0.0 108.961 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -23.7 67.21 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 122.38 1.086 . . . . 0.0 108.653 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.764 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.261 1.0 OUTLIER -85.11 -43.84 13.52 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 122.276 1.036 . . . . 0.0 109.557 179.408 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.724 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.35 -22.85 54.35 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.538 -177.534 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.463 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -61.81 -24.41 66.85 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.179 -0.951 . . . . 0.0 109.938 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.491 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.5 OUTLIER -80.68 -26.92 37.24 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.497 -0.752 . . . . 0.0 110.06 179.766 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.678 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -106.7 -68.69 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 CA-C-O 121.659 0.742 . . . . 0.0 109.531 179.771 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 1.2 mptt . . . . . 0 C--N 1.294 -1.821 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.126 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.208 0.528 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.95 171.01 14.31 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.358 -0.839 . . . . 0.0 110.143 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 659' ' ' ASP . . . . . 0.802 ' HB2' ' HB2' ' A' ' 662' ' ' ALA . 27.2 m-20 -102.55 128.12 49.33 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.333 -0.854 . . . . 0.0 110.277 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 76.9 mt -80.75 -20.2 43.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.394 -0.816 . . . . 0.0 110.151 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 3.1 mt -99.2 -0.09 42.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.51 -0.744 . . . . 0.0 110.585 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 662' ' ' ALA . . . . . 0.802 ' HB2' ' HB2' ' A' ' 659' ' ' ASP . . . -60.23 90.61 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.556 0.693 . . . . 0.0 109.839 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 13.4 mt -50.08 -25.03 3.06 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.798 -0.564 . . . . 0.0 110.814 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -58.22 -25.35 61.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.267 -0.895 . . . . 0.0 109.896 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.63 -17.43 17.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.385 -0.822 . . . . 0.0 110.341 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.407 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 54.4 m95 -72.67 -25.39 61.25 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.362 -0.836 . . . . 0.0 110.03 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -43.27 -32.83 0.85 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.331 -0.856 . . . . 0.0 111.423 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 668' ' ' SER . . . . . 0.414 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 21.2 p -73.69 -34.23 64.78 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.009 -1.057 . . . . 0.0 110.465 -179.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.661 HD23 ' CZ2' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -71.38 -25.2 62.26 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.205 -0.934 . . . . 0.0 109.288 179.01 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -78.12 -15.07 59.2 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.473 -0.767 . . . . 0.0 111.542 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 6.9 t -80.26 -29.14 38.32 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.856 -1.152 . . . . 0.0 111.828 -178.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.661 ' CZ2' HD23 ' A' ' 669' ' ' LEU . 16.3 p-90 -112.07 -39.32 4.52 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.618 -1.301 . . . . 0.0 110.251 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.488 ' CD1' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.51 42.87 1.08 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.317 -0.864 . . . . 0.0 109.811 179.677 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -80.84 101.73 9.58 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.282 0.563 . . . . 0.0 110.261 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.763 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 49.4 mm -85.55 -21.36 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.385 -0.822 . . . . 0.0 110.809 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.456 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 10.3 p -49.77 -33.57 16.78 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.863 -1.148 . . . . 0.0 108.959 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -23.28 66.88 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 122.393 1.092 . . . . 0.0 108.623 178.035 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.763 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.261 1.0 OUTLIER -85.74 -44.04 12.86 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-O 122.286 1.041 . . . . 0.0 109.464 179.414 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.727 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.38 -22.63 54.55 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.442 -177.445 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.456 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -60.68 -25.26 66.25 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.103 -0.998 . . . . 0.0 109.901 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.528 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.5 OUTLIER -78.14 -23.83 47.61 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.465 -0.772 . . . . 0.0 110.161 179.674 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.683 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -109.96 -67.53 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 CA-C-O 121.679 0.752 . . . . 0.0 109.678 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt . . . . . 0 C--N 1.295 -1.782 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.157 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.18 0.514 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -63.08 124.88 22.27 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.425 -0.797 . . . . 0.0 110.235 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 659' ' ' ASP . . . . . 0.772 ' HB2' ' HB2' ' A' ' 662' ' ' ALA . 19.0 m-20 -102.4 127.28 49.48 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.421 -0.799 . . . . 0.0 110.219 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 81.4 mt -82.93 -19.67 36.82 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.407 -0.808 . . . . 0.0 110.161 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 3.1 mt -101.16 0.94 38.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.552 -0.717 . . . . 0.0 110.67 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 662' ' ' ALA . . . . . 0.772 ' HB2' ' HB2' ' A' ' 659' ' ' ASP . . . -59.98 92.38 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.63 0.729 . . . . 0.0 109.674 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 20.1 mt -49.61 -25.23 2.65 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.741 -0.599 . . . . 0.0 110.803 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.68 -23.97 60.42 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.323 -0.86 . . . . 0.0 109.76 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -99.51 -17.5 17.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.44 -0.787 . . . . 0.0 110.327 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -79.53 -25.27 41.74 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.337 -0.852 . . . . 0.0 109.969 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -43.35 -32.85 0.9 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.417 -0.802 . . . . 0.0 111.455 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 668' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 0.9 OUTLIER -73.93 -34.01 64.17 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.174 -0.954 . . . . 0.0 110.444 -179.441 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.527 ' HA ' ' NE1' ' A' ' 672' ' ' TRP . 1.4 mp -71.43 -28.17 63.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.269 -0.894 . . . . 0.0 109.334 178.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.41 ' HA ' ' HE3' ' A' ' 670' ' ' TRP . 0.1 OUTLIER -74.17 -15.42 61.02 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.47 -0.768 . . . . 0.0 111.32 -179.443 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 28.4 t -79.58 -28.39 41.11 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.892 -1.13 . . . . 0.0 111.674 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.527 ' NE1' ' HA ' ' A' ' 669' ' ' LEU . 4.9 p-90 -112.29 -29.2 7.63 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.598 -1.314 . . . . 0.0 110.031 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.518 ' CD2' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.54 42.66 1.09 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.256 -0.903 . . . . 0.0 109.549 179.209 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -81.54 86.77 6.3 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.746 -0.596 . . . . 0.0 110.483 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.774 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.5 mm -85.61 -22.05 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.484 -0.76 . . . . 0.0 110.701 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.474 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 35.3 p -49.77 -33.41 16.26 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.85 -1.157 . . . . 0.0 109.058 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -23.15 66.65 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 122.31 1.052 . . . . 0.0 108.596 178.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.774 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.263 1.0 OUTLIER -85.91 -43.89 12.85 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 122.237 1.018 . . . . 0.0 109.462 179.338 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.715 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.66 -22.46 54.01 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.543 -177.559 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.474 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.5 t90 -60.71 -25.41 66.41 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.199 -0.938 . . . . 0.0 109.936 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.505 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.6 OUTLIER -78.03 -24.91 47.67 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.507 -0.745 . . . . 0.0 110.141 179.676 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.683 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -108.74 -69.91 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 CA-C-O 121.654 0.74 . . . . 0.0 109.645 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt . . . . . 0 C--N 1.295 -1.783 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.209 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.142 0.496 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -109.03 74.13 0.89 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.36 -0.837 . . . . 0.0 110.222 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 659' ' ' ASP . . . . . 0.735 ' HB2' ' HB2' ' A' ' 662' ' ' ALA . 4.9 m-20 -62.58 132.32 52.0 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.36 -0.837 . . . . 0.0 110.185 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 37.4 mt -82.73 -18.25 41.47 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.452 -0.78 . . . . 0.0 110.392 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 4.7 mt -103.05 -2.71 27.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.503 -0.748 . . . . 0.0 110.766 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 662' ' ' ALA . . . . . 0.735 ' HB2' ' HB2' ' A' ' 659' ' ' ASP . . . -63.17 88.34 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.64 -0.663 . . . . 0.0 109.861 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 10.5 mt -50.29 -26.1 4.44 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.649 -0.657 . . . . 0.0 110.625 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 664' ' ' ASP . . . . . 0.402 ' OD2' ' HB1' ' A' ' 662' ' ' ALA . 3.5 p30 -64.24 -30.07 71.14 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.493 -0.754 . . . . 0.0 109.832 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -92.64 -17.72 23.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.392 -0.817 . . . . 0.0 110.541 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 32.5 m95 -65.48 -25.02 67.3 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.244 -0.91 . . . . 0.0 110.044 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -43.29 -33.03 0.89 Allowed 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.397 -0.815 . . . . 0.0 111.315 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 668' ' ' SER . . . . . 0.407 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 5.0 m -73.79 -35.17 64.9 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.149 -0.969 . . . . 0.0 110.432 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.611 HD23 ' CZ2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -70.94 -26.25 63.1 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.212 -0.93 . . . . 0.0 109.294 178.904 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 34.5 m95 -75.62 -15.23 60.36 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.427 -0.795 . . . . 0.0 111.363 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 15.3 t -80.15 -28.94 38.76 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.797 -1.19 . . . . 0.0 111.713 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.611 ' CZ2' HD23 ' A' ' 669' ' ' LEU . 5.1 p-90 -112.24 -28.97 7.73 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.669 -1.269 . . . . 0.0 110.276 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.518 ' CD2' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.52 42.57 1.09 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.298 -0.876 . . . . 0.0 109.553 179.367 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -79.57 95.26 5.82 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-O 121.294 0.569 . . . . 0.0 110.527 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.769 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.3 mm -85.59 -21.82 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.314 -0.866 . . . . 0.0 110.778 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 40.5 p -49.81 -33.62 17.15 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.906 -1.121 . . . . 0.0 109.022 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -23.32 66.78 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 122.26 1.029 . . . . 0.0 108.546 178.073 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.769 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.261 1.0 OUTLIER -85.71 -44.01 12.91 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 122.318 1.056 . . . . 0.0 109.45 179.431 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.726 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.5 -22.42 54.49 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.601 -177.58 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.47 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.5 t90 -60.73 -25.39 66.42 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.204 -0.935 . . . . 0.0 109.911 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.502 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.6 OUTLIER -78.21 -24.66 46.96 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.736 0.779 . . . . 0.0 110.158 179.69 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.685 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -109.34 -68.57 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 CA-C-O 121.713 0.768 . . . . 0.0 109.697 179.791 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.295 -1.796 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.13 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.217 0.532 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -135.59 40.97 2.77 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.325 -0.86 . . . . 0.0 110.183 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 659' ' ' ASP . . . . . 0.819 ' HB2' ' HB2' ' A' ' 662' ' ' ALA . 71.3 m-20 -95.42 129.75 42.47 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.298 -0.876 . . . . 0.0 110.242 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 60.0 mt -79.86 -16.95 54.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.374 -0.829 . . . . 0.0 110.331 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 4.6 mt -103.28 -2.02 27.84 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.454 -0.779 . . . . 0.0 110.727 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 662' ' ' ALA . . . . . 0.819 ' HB2' ' HB2' ' A' ' 659' ' ' ASP . . . -61.34 88.28 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.432 0.634 . . . . 0.0 110.002 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 75.6 mt -50.39 -25.84 4.32 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.689 -0.632 . . . . 0.0 110.66 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 664' ' ' ASP . . . . . 0.525 ' OD2' ' HB1' ' A' ' 662' ' ' ALA . 3.2 p30 -60.84 -28.07 68.55 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.426 -0.796 . . . . 0.0 109.994 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -97.41 -17.45 19.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.496 -0.752 . . . . 0.0 110.541 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -67.7 -25.65 65.78 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.196 -0.94 . . . . 0.0 109.977 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -43.2 -33.02 0.84 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.328 -0.857 . . . . 0.0 111.36 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 668' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 2.2 m -73.82 -34.15 64.45 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.142 -0.974 . . . . 0.0 110.483 -179.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.645 HD23 ' CZ2' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -71.18 -25.39 62.51 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.224 -0.923 . . . . 0.0 109.27 178.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 53.5 m95 -77.29 -15.12 59.58 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.411 -0.806 . . . . 0.0 111.442 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.37 -29.29 37.88 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.756 -1.215 . . . . 0.0 111.821 -178.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.645 ' CZ2' HD23 ' A' ' 669' ' ' LEU . 12.9 p-90 -112.12 -31.86 6.74 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.776 -1.202 . . . . 0.0 110.284 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.509 ' CD1' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.38 42.73 1.08 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.338 -0.851 . . . . 0.0 109.814 179.665 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 674' ' ' ASP . . . . . 0.546 ' OD1' HG22 ' A' ' 676' ' ' THR . 1.7 t0 -85.19 103.86 14.54 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-O 121.29 0.567 . . . . 0.0 110.128 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.768 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 49.6 mm -85.47 -20.86 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.366 -0.834 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.546 HG22 ' OD1' ' A' ' 674' ' ' ASP . 8.8 t -49.85 -35.31 22.72 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.837 -1.164 . . . . 0.0 108.955 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 677' ' ' LYS . . . . . 0.451 ' N ' HG23 ' A' ' 676' ' ' THR . 0.2 OUTLIER -61.27 -23.7 65.86 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 122.332 1.063 . . . . 0.0 108.677 178.042 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.768 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.262 1.0 OUTLIER -85.42 -44.35 12.83 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-O 122.261 1.029 . . . . 0.0 109.431 179.394 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.713 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.12 -22.58 55.34 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.565 -177.565 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.453 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -60.81 -25.12 66.35 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.21 -0.931 . . . . 0.0 109.898 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.496 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.7 OUTLIER -78.69 -25.14 44.73 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.458 -0.776 . . . . 0.0 110.099 179.755 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.687 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -108.62 -69.48 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 CA-C-O 121.621 0.725 . . . . 0.0 109.63 179.828 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 7.1 mttt . . . . . 0 C--N 1.294 -1.812 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.173 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.21 0.529 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 3.4 pptp? -164.0 116.2 1.38 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.385 -0.822 . . . . 0.0 110.224 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 659' ' ' ASP . . . . . 0.89 ' HB2' ' HB2' ' A' ' 662' ' ' ALA . 3.4 m-20 -102.53 130.11 49.27 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.344 -0.848 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.47 ' H ' HD23 ' A' ' 660' ' ' LEU . 0.6 OUTLIER -71.72 -16.88 62.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.361 -0.837 . . . . 0.0 110.494 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 4.5 mt -103.02 -1.98 28.35 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.412 -0.805 . . . . 0.0 110.705 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 662' ' ' ALA . . . . . 0.89 ' HB2' ' HB2' ' A' ' 659' ' ' ASP . . . -60.65 89.9 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.662 -0.649 . . . . 0.0 109.819 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 7.8 mt -50.18 -25.91 4.07 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.758 -0.589 . . . . 0.0 110.69 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.58 -23.17 65.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.359 -0.838 . . . . 0.0 109.977 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -99.5 -17.61 17.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.436 -0.79 . . . . 0.0 110.408 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -69.19 -24.89 64.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.299 -0.876 . . . . 0.0 110.031 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -43.32 -32.61 0.84 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.318 -0.864 . . . . 0.0 111.332 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 668' ' ' SER . . . . . 0.404 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 0.3 OUTLIER -73.99 -33.1 63.7 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.098 -1.001 . . . . 0.0 110.442 -179.454 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.515 ' HA ' ' NE1' ' A' ' 672' ' ' TRP . 1.6 mp -71.6 -25.71 62.29 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.258 -0.901 . . . . 0.0 109.316 179.025 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 4.9 m95 -76.98 -14.83 59.8 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.448 -0.783 . . . . 0.0 111.496 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.2 m -80.95 -29.25 35.44 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.861 -1.149 . . . . 0.0 111.871 -178.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.515 ' NE1' ' HA ' ' A' ' 669' ' ' LEU . 17.0 p-90 -111.96 -27.03 8.59 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.675 -1.266 . . . . 0.0 110.436 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.505 ' CD1' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.31 42.71 1.08 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.294 -0.879 . . . . 0.0 109.869 179.736 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -88.37 105.19 17.42 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-O 121.419 0.628 . . . . 0.0 110.085 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.757 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.8 mm -85.36 -22.46 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.253 -0.904 . . . . 0.0 110.943 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.484 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 28.6 p -49.71 -33.47 16.06 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.923 -1.111 . . . . 0.0 108.86 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.56 -24.76 67.7 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 122.397 1.094 . . . . 0.0 108.655 178.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.757 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.261 1.0 OUTLIER -83.63 -44.59 14.4 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.273 1.035 . . . . 0.0 109.512 179.466 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.729 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -75.31 -24.08 57.4 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.311 -177.805 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.484 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.5 t90 -62.78 -23.75 67.39 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.052 -1.03 . . . . 0.0 109.388 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -87.75 -32.74 18.97 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.538 0.685 . . . . 0.0 110.106 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.48 HG23 ' O ' ' A' ' 678' ' ' TRP . 1.1 pp -86.28 -23.67 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.5 -0.75 . . . . 0.0 109.887 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 683' ' ' LYS . . . . . 0.456 ' N ' HG13 ' A' ' 682' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.292 -1.894 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.436 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.213 0.53 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 4.5 tttt 52.91 80.89 0.09 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.318 -0.864 . . . . 0.0 110.391 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 659' ' ' ASP . . . . . 0.86 ' HB2' ' HB2' ' A' ' 662' ' ' ALA . 33.3 m-20 -102.26 129.85 48.78 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.352 -0.843 . . . . 0.0 110.267 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 78.7 mt -73.61 -16.7 61.23 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.42 -0.8 . . . . 0.0 110.166 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 4.1 mt -102.54 -1.52 30.31 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.46 -0.775 . . . . 0.0 110.602 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 662' ' ' ALA . . . . . 0.86 ' HB2' ' HB2' ' A' ' 659' ' ' ASP . . . -60.46 91.04 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.466 0.65 . . . . 0.0 109.752 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 2.9 mt -49.9 -26.19 3.89 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.807 -0.558 . . . . 0.0 110.722 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.4 -22.76 65.29 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.448 -0.782 . . . . 0.0 109.857 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -99.55 -17.36 17.9 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.443 -0.786 . . . . 0.0 110.365 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -74.65 -25.15 59.02 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.324 -0.86 . . . . 0.0 109.963 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -43.45 -32.94 0.97 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.388 -0.82 . . . . 0.0 111.344 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 668' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 8.0 t -73.88 -33.8 64.2 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.131 -0.981 . . . . 0.0 110.491 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.524 ' HA ' ' NE1' ' A' ' 672' ' ' TRP . 1.9 mp -72.18 -26.32 62.02 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.255 -0.903 . . . . 0.0 109.347 179.051 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 14.0 m95 -76.75 -14.78 59.9 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.379 -0.826 . . . . 0.0 111.493 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.74 -28.89 36.39 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.867 -1.145 . . . . 0.0 111.849 -178.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.524 ' NE1' ' HA ' ' A' ' 669' ' ' LEU . 19.0 p-90 -111.93 -26.14 9.06 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.714 -1.241 . . . . 0.0 110.374 179.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.5 ' CD1' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.36 42.74 1.08 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.27 -0.893 . . . . 0.0 109.754 179.745 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -89.2 105.08 17.56 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-O 121.363 0.601 . . . . 0.0 110.16 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.764 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.8 mm -85.53 -21.88 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.389 -0.819 . . . . 0.0 110.911 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.475 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 4.5 p -49.83 -33.31 16.42 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.865 -1.147 . . . . 0.0 108.943 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -23.47 67.11 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 122.403 1.097 . . . . 0.0 108.596 177.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.764 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.263 1.0 OUTLIER -85.56 -43.73 13.26 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 122.304 1.049 . . . . 0.0 109.503 179.452 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.727 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.61 -22.6 53.96 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.505 -177.513 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.475 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -61.23 -24.86 66.66 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.193 -0.942 . . . . 0.0 109.921 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.495 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.7 OUTLIER -79.1 -25.74 43.01 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.379 -0.826 . . . . 0.0 110.053 179.671 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.672 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -108.12 -69.55 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 CA-C-O 121.616 0.722 . . . . 0.0 109.562 179.786 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt . . . . . 0 C--N 1.294 -1.812 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.129 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.165 0.507 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -110.41 45.36 1.13 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.391 -0.818 . . . . 0.0 110.237 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -83.52 151.7 25.27 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.421 -0.799 . . . . 0.0 110.212 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 23.9 mt -60.16 -20.69 59.66 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.425 -0.797 . . . . 0.0 110.292 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 4.5 mt -105.37 -0.61 25.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.519 -0.738 . . . . 0.0 110.688 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.33 90.95 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.456 0.646 . . . . 0.0 109.86 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 5.2 mt -49.87 -26.3 3.94 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.838 -0.538 . . . . 0.0 110.622 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -61.9 -22.62 65.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.369 -0.832 . . . . 0.0 109.785 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.39 -17.47 17.97 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.444 -0.785 . . . . 0.0 110.324 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -77.16 -27.47 53.77 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.372 -0.83 . . . . 0.0 109.918 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -43.38 -34.69 1.32 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.489 -0.757 . . . . 0.0 111.145 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 668' ' ' SER . . . . . 0.45 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 45.8 m -73.14 -38.84 66.12 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.023 -1.048 . . . . 0.0 110.325 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.618 HD23 ' CZ2' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -73.94 -30.26 62.46 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.236 -0.915 . . . . 0.0 109.137 178.902 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.411 ' CH2' ' OD1' ' A' ' 674' ' ' ASP . 10.5 t-105 -73.83 -13.71 60.97 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.473 -0.767 . . . . 0.0 111.138 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 13.6 t -82.84 -29.34 29.52 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.769 -1.207 . . . . 0.0 112.126 -178.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.618 ' CZ2' HD23 ' A' ' 669' ' ' LEU . 29.1 p-90 -111.49 -18.96 12.72 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.554 -1.341 . . . . 0.0 110.898 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.501 ' CD1' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.26 42.94 1.08 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.127 -0.983 . . . . 0.0 109.826 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 674' ' ' ASP . . . . . 0.507 ' OD1' HG22 ' A' ' 676' ' ' THR . 38.1 t70 -95.07 92.09 6.66 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.256 0.551 . . . . 0.0 110.154 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.819 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 2.2 mp -85.53 -15.58 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.337 -0.852 . . . . 0.0 110.738 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.611 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 8.9 t -53.52 -34.52 58.44 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.469 -1.395 . . . . 0.0 108.106 178.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 677' ' ' LYS . . . . . 0.426 ' N ' HG23 ' A' ' 676' ' ' THR . 0.0 OUTLIER -60.63 -23.35 64.68 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 122.552 1.168 . . . . 0.0 108.559 177.628 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.819 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.283 0.6 OUTLIER -85.1 -39.72 17.61 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-O 122.432 1.111 . . . . 0.0 109.918 -179.984 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.604 HD23 ' N ' ' A' ' 679' ' ' LEU . 0.2 OUTLIER -87.81 -19.84 26.91 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.199 -177.292 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.611 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.4 t90 -64.72 -26.27 68.29 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.349 -0.845 . . . . 0.0 109.36 178.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.402 ' HB3' HD13 ' A' ' 682' ' ' ILE . 0.5 OUTLIER -78.84 -35.71 43.56 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.746 0.784 . . . . 0.0 110.019 179.785 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.698 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -96.3 -67.88 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 CA-C-O 121.628 0.728 . . . . 0.0 109.356 179.631 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.295 -1.784 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.149 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.283 0.563 . . . . 0.0 110.179 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 52.11 66.91 1.07 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.294 -0.879 . . . . 0.0 110.539 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -102.49 151.05 22.76 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.318 -0.864 . . . . 0.0 110.262 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 16.8 mt -61.69 -21.52 64.53 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.31 -0.869 . . . . 0.0 110.25 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 4.7 mt -103.94 -1.8 27.07 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.522 -0.737 . . . . 0.0 110.689 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.22 88.0 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.497 0.665 . . . . 0.0 109.919 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 22.5 mt -50.37 -26.3 4.79 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.677 -0.639 . . . . 0.0 110.611 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -66.83 -25.92 66.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.418 -0.801 . . . . 0.0 109.857 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.07 -17.65 21.68 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.405 -0.809 . . . . 0.0 110.31 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.475 ' CE3' HD13 ' A' ' 669' ' ' LEU . 33.6 m95 -66.31 -24.27 66.51 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.357 -0.84 . . . . 0.0 110.068 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -43.29 -32.66 0.83 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.394 -0.816 . . . . 0.0 111.334 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 668' ' ' SER . . . . . 0.406 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 6.1 m -74.16 -32.67 63.21 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.126 -0.984 . . . . 0.0 110.301 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.65 HD23 ' CZ2' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -71.69 -26.44 62.51 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.144 -0.973 . . . . 0.0 109.243 179.039 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -76.27 -14.63 60.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.361 -0.837 . . . . 0.0 111.424 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 18.4 m -81.21 -29.38 34.54 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.832 -1.168 . . . . 0.0 111.985 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.65 ' CZ2' HD23 ' A' ' 669' ' ' LEU . 17.9 p-90 -112.07 -24.96 9.6 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.705 -1.247 . . . . 0.0 110.598 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.495 ' CD1' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.35 42.88 1.08 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.172 -0.955 . . . . 0.0 109.924 179.717 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -88.98 105.51 17.83 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 121.342 0.591 . . . . 0.0 110.047 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.757 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.1 mm -85.49 -20.94 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.316 -0.865 . . . . 0.0 111.031 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 9.0 t -49.79 -35.47 22.74 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.871 -1.143 . . . . 0.0 108.879 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 677' ' ' LYS . . . . . 0.453 ' N ' HG23 ' A' ' 676' ' ' THR . 0.0 OUTLIER -61.17 -23.78 65.82 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 122.35 1.072 . . . . 0.0 108.685 178.1 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.757 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.263 1.0 OUTLIER -85.46 -43.99 13.11 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 122.252 1.025 . . . . 0.0 109.467 179.349 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.728 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.43 -22.51 54.58 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.548 -177.615 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.457 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -60.6 -25.51 66.3 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.192 -0.942 . . . . 0.0 109.891 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.511 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.4 OUTLIER -77.62 -24.59 49.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.428 -0.795 . . . . 0.0 110.101 179.778 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.692 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -109.0 -70.18 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 CA-C-O 121.631 0.729 . . . . 0.0 109.63 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 10.5 mttt . . . . . 0 C--N 1.294 -1.831 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.171 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . 0.539 ' OD1' HG22 ' A' ' 676' ' ' THR . 1.4 t0 . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 121.232 0.539 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . 0.778 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 49.8 mm -85.59 -21.1 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.41 -0.806 . . . . 0.0 110.84 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 676' ' ' THR . . . . . 0.539 HG22 ' OD1' ' A' ' 674' ' ' ASP . 8.8 t -49.71 -35.69 22.74 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.881 -1.137 . . . . 0.0 108.929 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . 0.443 ' N ' HG23 ' A' ' 676' ' ' THR . 0.2 OUTLIER -60.86 -23.83 65.45 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 122.315 1.055 . . . . 0.0 108.684 178.109 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 678' ' ' TRP . . . . . 0.778 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.262 1.0 OUTLIER -85.22 -44.17 13.14 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 122.277 1.037 . . . . 0.0 109.398 179.32 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 679' ' ' LEU . . . . . 0.727 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.72 -22.41 53.92 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.561 -177.601 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 680' ' ' TRP . . . . . 0.466 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -61.0 -25.16 66.7 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.178 -0.951 . . . . 0.0 109.865 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.489 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.7 OUTLIER -79.05 -25.88 43.16 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 121.649 0.737 . . . . 0.0 110.09 179.667 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 682' ' ' ILE . . . . . 0.684 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 121.683 0.754 . . . . 0.0 109.571 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.242 0.544 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . 0.764 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 51.1 mm -85.47 -22.03 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.336 -0.853 . . . . 0.0 110.991 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 676' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 6.6 p -49.8 -33.65 17.18 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.799 -1.188 . . . . 0.0 108.961 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -23.7 67.21 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 122.38 1.086 . . . . 0.0 108.653 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 678' ' ' TRP . . . . . 0.764 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.261 1.0 OUTLIER -85.11 -43.84 13.52 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 122.276 1.036 . . . . 0.0 109.557 179.408 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 679' ' ' LEU . . . . . 0.724 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.35 -22.85 54.35 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.538 -177.534 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 680' ' ' TRP . . . . . 0.463 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -61.81 -24.41 66.85 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.179 -0.951 . . . . 0.0 109.938 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.491 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.5 OUTLIER -80.68 -26.92 37.24 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.497 -0.752 . . . . 0.0 110.06 179.766 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 682' ' ' ILE . . . . . 0.678 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.659 0.742 . . . . 0.0 109.531 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.282 0.563 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . 0.763 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 49.4 mm -85.55 -21.36 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.385 -0.822 . . . . 0.0 110.809 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 676' ' ' THR . . . . . 0.456 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 10.3 p -49.77 -33.57 16.78 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.863 -1.148 . . . . 0.0 108.959 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -23.28 66.88 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 122.393 1.092 . . . . 0.0 108.623 178.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 678' ' ' TRP . . . . . 0.763 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.261 1.0 OUTLIER -85.74 -44.04 12.86 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-O 122.286 1.041 . . . . 0.0 109.464 179.414 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 679' ' ' LEU . . . . . 0.727 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.38 -22.63 54.55 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.442 -177.445 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 680' ' ' TRP . . . . . 0.456 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -60.68 -25.26 66.25 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.103 -0.998 . . . . 0.0 109.901 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.528 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.5 OUTLIER -78.14 -23.83 47.61 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.465 -0.772 . . . . 0.0 110.161 179.674 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 682' ' ' ILE . . . . . 0.683 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 121.679 0.752 . . . . 0.0 109.678 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 3.4 t0 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.18 0.514 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . 0.774 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.5 mm -85.61 -22.05 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.484 -0.76 . . . . 0.0 110.701 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 676' ' ' THR . . . . . 0.474 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 35.3 p -49.77 -33.41 16.26 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.85 -1.157 . . . . 0.0 109.058 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -23.15 66.65 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 122.31 1.052 . . . . 0.0 108.596 178.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 678' ' ' TRP . . . . . 0.774 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.263 1.0 OUTLIER -85.91 -43.89 12.85 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 122.237 1.018 . . . . 0.0 109.462 179.338 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 679' ' ' LEU . . . . . 0.715 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.66 -22.46 54.01 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.543 -177.559 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 680' ' ' TRP . . . . . 0.474 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.5 t90 -60.71 -25.41 66.41 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.199 -0.938 . . . . 0.0 109.936 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.505 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.6 OUTLIER -78.03 -24.91 47.67 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.507 -0.745 . . . . 0.0 110.141 179.676 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 682' ' ' ILE . . . . . 0.683 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 121.654 0.74 . . . . 0.0 109.645 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.294 0.569 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . 0.769 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.3 mm -85.59 -21.82 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.314 -0.866 . . . . 0.0 110.778 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 676' ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 40.5 p -49.81 -33.62 17.15 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.906 -1.121 . . . . 0.0 109.022 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -23.32 66.78 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 122.26 1.029 . . . . 0.0 108.546 178.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 678' ' ' TRP . . . . . 0.769 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.261 1.0 OUTLIER -85.71 -44.01 12.91 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 122.318 1.056 . . . . 0.0 109.45 179.431 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 679' ' ' LEU . . . . . 0.726 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.5 -22.42 54.49 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.601 -177.58 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 680' ' ' TRP . . . . . 0.47 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.5 t90 -60.73 -25.39 66.42 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.204 -0.935 . . . . 0.0 109.911 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.502 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.6 OUTLIER -78.21 -24.66 46.96 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.736 0.779 . . . . 0.0 110.158 179.69 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 682' ' ' ILE . . . . . 0.685 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.713 0.768 . . . . 0.0 109.697 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . 0.546 ' OD1' HG22 ' A' ' 676' ' ' THR . 1.7 t0 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.29 0.567 . . . . 0.0 110.128 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . 0.768 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 49.6 mm -85.47 -20.86 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.366 -0.834 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 676' ' ' THR . . . . . 0.546 HG22 ' OD1' ' A' ' 674' ' ' ASP . 8.8 t -49.85 -35.31 22.72 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.837 -1.164 . . . . 0.0 108.955 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . 0.451 ' N ' HG23 ' A' ' 676' ' ' THR . 0.2 OUTLIER -61.27 -23.7 65.86 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 122.332 1.063 . . . . 0.0 108.677 178.042 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 678' ' ' TRP . . . . . 0.768 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.262 1.0 OUTLIER -85.42 -44.35 12.83 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-O 122.261 1.029 . . . . 0.0 109.431 179.394 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 679' ' ' LEU . . . . . 0.713 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.12 -22.58 55.34 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.565 -177.565 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 680' ' ' TRP . . . . . 0.453 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -60.81 -25.12 66.35 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.21 -0.931 . . . . 0.0 109.898 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.496 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.7 OUTLIER -78.69 -25.14 44.73 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.458 -0.776 . . . . 0.0 110.099 179.755 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 682' ' ' ILE . . . . . 0.687 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 121.621 0.725 . . . . 0.0 109.63 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 121.419 0.628 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . 0.757 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.8 mm -85.36 -22.46 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.253 -0.904 . . . . 0.0 110.943 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 676' ' ' THR . . . . . 0.484 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 28.6 p -49.71 -33.47 16.06 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.923 -1.111 . . . . 0.0 108.86 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.56 -24.76 67.7 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 122.397 1.094 . . . . 0.0 108.655 178.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 678' ' ' TRP . . . . . 0.757 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.261 1.0 OUTLIER -83.63 -44.59 14.4 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.273 1.035 . . . . 0.0 109.512 179.466 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 679' ' ' LEU . . . . . 0.729 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -75.31 -24.08 57.4 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.311 -177.805 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 680' ' ' TRP . . . . . 0.484 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.5 t90 -62.78 -23.75 67.39 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.052 -1.03 . . . . 0.0 109.388 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -87.75 -32.74 18.97 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.538 0.685 . . . . 0.0 110.106 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 682' ' ' ILE . . . . . 0.48 HG23 ' O ' ' A' ' 678' ' ' TRP . 1.1 pp . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.5 -0.75 . . . . 0.0 109.887 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.363 0.601 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . 0.764 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.8 mm -85.53 -21.88 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.389 -0.819 . . . . 0.0 110.911 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 676' ' ' THR . . . . . 0.475 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 4.5 p -49.83 -33.31 16.42 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.865 -1.147 . . . . 0.0 108.943 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -23.47 67.11 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 122.403 1.097 . . . . 0.0 108.596 177.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 678' ' ' TRP . . . . . 0.764 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.263 1.0 OUTLIER -85.56 -43.73 13.26 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 122.304 1.049 . . . . 0.0 109.503 179.452 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 679' ' ' LEU . . . . . 0.727 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.61 -22.6 53.96 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.505 -177.513 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 680' ' ' TRP . . . . . 0.475 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -61.23 -24.86 66.66 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.193 -0.942 . . . . 0.0 109.921 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.495 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.7 OUTLIER -79.1 -25.74 43.01 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.379 -0.826 . . . . 0.0 110.053 179.671 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 682' ' ' ILE . . . . . 0.672 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.616 0.722 . . . . 0.0 109.562 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . 0.507 ' OD1' HG22 ' A' ' 676' ' ' THR . 38.1 t70 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.256 0.551 . . . . 0.0 110.154 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . 0.819 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 2.2 mp -85.53 -15.58 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.337 -0.852 . . . . 0.0 110.738 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 676' ' ' THR . . . . . 0.611 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 8.9 t -53.52 -34.52 58.44 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.469 -1.395 . . . . 0.0 108.106 178.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . 0.426 ' N ' HG23 ' A' ' 676' ' ' THR . 0.0 OUTLIER -60.63 -23.35 64.68 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 122.552 1.168 . . . . 0.0 108.559 177.628 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 678' ' ' TRP . . . . . 0.819 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.283 0.6 OUTLIER -85.1 -39.72 17.61 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-O 122.432 1.111 . . . . 0.0 109.918 -179.984 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 679' ' ' LEU . . . . . 0.604 ' N ' HD23 ' A' ' 679' ' ' LEU . 0.2 OUTLIER -87.81 -19.84 26.91 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.199 -177.292 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 680' ' ' TRP . . . . . 0.611 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.4 t90 -64.72 -26.27 68.29 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.349 -0.845 . . . . 0.0 109.36 178.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.402 ' HB3' HD13 ' A' ' 682' ' ' ILE . 0.5 OUTLIER -78.84 -35.71 43.56 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.746 0.784 . . . . 0.0 110.019 179.785 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 682' ' ' ILE . . . . . 0.698 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 121.628 0.728 . . . . 0.0 109.356 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 121.342 0.591 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . 0.757 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.1 mm -85.49 -20.94 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.316 -0.865 . . . . 0.0 111.031 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 676' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 9.0 t -49.79 -35.47 22.74 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.871 -1.143 . . . . 0.0 108.879 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . 0.453 ' N ' HG23 ' A' ' 676' ' ' THR . 0.0 OUTLIER -61.17 -23.78 65.82 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 122.35 1.072 . . . . 0.0 108.685 178.1 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 678' ' ' TRP . . . . . 0.757 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.263 1.0 OUTLIER -85.46 -43.99 13.11 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 122.252 1.025 . . . . 0.0 109.467 179.349 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 679' ' ' LEU . . . . . 0.728 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.43 -22.51 54.58 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.548 -177.615 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 680' ' ' TRP . . . . . 0.457 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -60.6 -25.51 66.3 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.192 -0.942 . . . . 0.0 109.891 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.511 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.4 OUTLIER -77.62 -24.59 49.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.428 -0.795 . . . . 0.0 110.101 179.778 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 682' ' ' ILE . . . . . 0.692 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.631 0.729 . . . . 0.0 109.63 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.189 0.518 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 7.3 pttm -62.48 111.72 2.15 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.396 -0.815 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . 0.857 ' HB2' ' HB2' ' A' ' 662' ' ' ALA . 66.6 m-20 -102.46 128.78 48.93 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.34 -0.85 . . . . 0.0 110.242 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 40.8 mt -78.16 -19.01 54.82 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.443 -0.786 . . . . 0.0 110.217 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 3.6 mt -100.78 -0.57 36.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.53 -0.731 . . . . 0.0 110.599 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . 0.857 ' HB2' ' HB2' ' A' ' 659' ' ' ASP . . . -60.18 90.43 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.488 0.661 . . . . 0.0 109.829 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 10.4 mt -50.0 -25.69 3.59 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.765 -0.584 . . . . 0.0 110.691 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -24.54 63.56 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.354 -0.841 . . . . 0.0 109.818 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -99.5 -17.49 17.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.416 -0.803 . . . . 0.0 110.337 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -73.96 -25.58 60.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.26 -0.9 . . . . 0.0 109.949 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -43.41 -32.9 0.94 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.387 -0.821 . . . . 0.0 111.372 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . 0.41 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 4.3 m -73.69 -34.53 64.91 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.084 -1.01 . . . . 0.0 110.454 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.636 HD23 ' CZ2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -71.4 -26.56 62.82 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.297 -0.877 . . . . 0.0 109.331 178.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -75.64 -15.05 60.38 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.409 -0.807 . . . . 0.0 111.377 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 25.4 t -80.48 -28.72 37.5 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.78 -1.2 . . . . 0.0 111.791 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.636 ' CZ2' HD23 ' A' ' 669' ' ' LEU . 6.6 p-90 -112.28 -27.51 8.29 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.634 -1.291 . . . . 0.0 110.329 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.52 ' CD2' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.41 42.71 1.08 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.316 -0.865 . . . . 0.0 109.716 179.438 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . 0.539 ' OD1' HG22 ' A' ' 676' ' ' THR . 1.4 t0 -89.37 100.87 13.57 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-O 121.232 0.539 . . . . 0.0 110.259 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.778 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 49.8 mm -85.59 -21.1 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.41 -0.806 . . . . 0.0 110.84 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.539 HG22 ' OD1' ' A' ' 674' ' ' ASP . 8.8 t -49.71 -35.69 22.74 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.881 -1.137 . . . . 0.0 108.929 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . 0.443 ' N ' HG23 ' A' ' 676' ' ' THR . 0.2 OUTLIER -60.86 -23.83 65.45 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 122.315 1.055 . . . . 0.0 108.684 178.109 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.778 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.262 1.0 OUTLIER -85.22 -44.17 13.14 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 122.277 1.037 . . . . 0.0 109.398 179.32 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.727 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.72 -22.41 53.92 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.561 -177.601 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.466 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -61.0 -25.16 66.7 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.178 -0.951 . . . . 0.0 109.865 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.489 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.7 OUTLIER -79.05 -25.88 43.16 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 121.649 0.737 . . . . 0.0 110.09 179.667 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.684 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -108.28 -69.15 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 CA-C-O 121.683 0.754 . . . . 0.0 109.571 179.796 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.295 -1.774 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.204 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.13 0.49 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.22 84.9 2.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.389 -0.819 . . . . 0.0 110.223 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -102.45 150.22 23.59 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.29 -0.881 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 6.9 mt -59.43 -21.61 60.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.366 -0.834 . . . . 0.0 110.213 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 3.9 mt -101.78 -1.11 33.09 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.5 -0.75 . . . . 0.0 110.607 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.43 90.91 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.684 0 CA-C-O 121.509 0.671 . . . . 0.0 109.716 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 7.8 mt -50.13 -25.62 3.71 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.798 -0.564 . . . . 0.0 110.675 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.37 -23.64 64.46 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.409 -0.807 . . . . 0.0 109.852 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.5 -17.48 17.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.377 -0.827 . . . . 0.0 110.411 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -73.27 -25.26 60.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.308 -0.87 . . . . 0.0 110.012 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -43.37 -32.58 0.86 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.394 -0.816 . . . . 0.0 111.426 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . 0.405 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 0.9 OUTLIER -73.99 -33.05 63.68 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.073 -1.017 . . . . 0.0 110.411 -179.471 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.523 ' HA ' ' NE1' ' A' ' 672' ' ' TRP . 1.7 mp -72.04 -26.13 62.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.11 -0.994 . . . . 0.0 109.314 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -76.8 -14.7 59.89 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.308 -0.87 . . . . 0.0 111.465 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.12 -29.13 34.9 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.883 -1.136 . . . . 0.0 111.988 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.523 ' NE1' ' HA ' ' A' ' 669' ' ' LEU . 22.5 p-90 -111.97 -24.03 10.18 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.682 -1.261 . . . . 0.0 110.624 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.496 ' CD1' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.25 42.68 1.08 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.252 -0.905 . . . . 0.0 109.837 179.742 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -100.04 94.1 6.09 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-O 121.242 0.544 . . . . 0.0 110.003 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.764 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 51.1 mm -85.47 -22.03 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.336 -0.853 . . . . 0.0 110.991 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 6.6 p -49.8 -33.65 17.18 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.799 -1.188 . . . . 0.0 108.961 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -23.7 67.21 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 122.38 1.086 . . . . 0.0 108.653 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.764 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.261 1.0 OUTLIER -85.11 -43.84 13.52 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 122.276 1.036 . . . . 0.0 109.557 179.408 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.724 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.35 -22.85 54.35 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.538 -177.534 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.463 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -61.81 -24.41 66.85 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.179 -0.951 . . . . 0.0 109.938 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.491 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.5 OUTLIER -80.68 -26.92 37.24 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.497 -0.752 . . . . 0.0 110.06 179.766 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.678 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -106.7 -68.69 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 CA-C-O 121.659 0.742 . . . . 0.0 109.531 179.771 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 1.2 mptt . . . . . 0 C--N 1.294 -1.821 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.126 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.208 0.528 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.95 171.01 14.31 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.358 -0.839 . . . . 0.0 110.143 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . 0.802 ' HB2' ' HB2' ' A' ' 662' ' ' ALA . 27.2 m-20 -102.55 128.12 49.33 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.333 -0.854 . . . . 0.0 110.277 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 76.9 mt -80.75 -20.2 43.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.394 -0.816 . . . . 0.0 110.151 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 3.1 mt -99.2 -0.09 42.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.51 -0.744 . . . . 0.0 110.585 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . 0.802 ' HB2' ' HB2' ' A' ' 659' ' ' ASP . . . -60.23 90.61 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.556 0.693 . . . . 0.0 109.839 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 13.4 mt -50.08 -25.03 3.06 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.798 -0.564 . . . . 0.0 110.814 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -58.22 -25.35 61.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.267 -0.895 . . . . 0.0 109.896 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.63 -17.43 17.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.385 -0.822 . . . . 0.0 110.341 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.407 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 54.4 m95 -72.67 -25.39 61.25 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.362 -0.836 . . . . 0.0 110.03 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -43.27 -32.83 0.85 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.331 -0.856 . . . . 0.0 111.423 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . 0.414 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 21.2 p -73.69 -34.23 64.78 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.009 -1.057 . . . . 0.0 110.465 -179.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.661 HD23 ' CZ2' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -71.38 -25.2 62.26 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.205 -0.934 . . . . 0.0 109.288 179.01 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -78.12 -15.07 59.2 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.473 -0.767 . . . . 0.0 111.542 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 6.9 t -80.26 -29.14 38.32 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.856 -1.152 . . . . 0.0 111.828 -178.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.661 ' CZ2' HD23 ' A' ' 669' ' ' LEU . 16.3 p-90 -112.07 -39.32 4.52 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.618 -1.301 . . . . 0.0 110.251 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.488 ' CD1' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.51 42.87 1.08 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.317 -0.864 . . . . 0.0 109.811 179.677 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -80.84 101.73 9.58 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.282 0.563 . . . . 0.0 110.261 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.763 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 49.4 mm -85.55 -21.36 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.385 -0.822 . . . . 0.0 110.809 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.456 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 10.3 p -49.77 -33.57 16.78 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.863 -1.148 . . . . 0.0 108.959 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -23.28 66.88 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 122.393 1.092 . . . . 0.0 108.623 178.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.763 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.261 1.0 OUTLIER -85.74 -44.04 12.86 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-O 122.286 1.041 . . . . 0.0 109.464 179.414 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.727 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.38 -22.63 54.55 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.442 -177.445 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.456 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -60.68 -25.26 66.25 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.103 -0.998 . . . . 0.0 109.901 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.528 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.5 OUTLIER -78.14 -23.83 47.61 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.465 -0.772 . . . . 0.0 110.161 179.674 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.683 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -109.96 -67.53 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 CA-C-O 121.679 0.752 . . . . 0.0 109.678 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt . . . . . 0 C--N 1.295 -1.782 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.157 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.18 0.514 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -63.08 124.88 22.27 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.425 -0.797 . . . . 0.0 110.235 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . 0.772 ' HB2' ' HB2' ' A' ' 662' ' ' ALA . 19.0 m-20 -102.4 127.28 49.48 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.421 -0.799 . . . . 0.0 110.219 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 81.4 mt -82.93 -19.67 36.82 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.407 -0.808 . . . . 0.0 110.161 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 3.1 mt -101.16 0.94 38.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.552 -0.717 . . . . 0.0 110.67 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . 0.772 ' HB2' ' HB2' ' A' ' 659' ' ' ASP . . . -59.98 92.38 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.63 0.729 . . . . 0.0 109.674 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 20.1 mt -49.61 -25.23 2.65 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.741 -0.599 . . . . 0.0 110.803 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.68 -23.97 60.42 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.323 -0.86 . . . . 0.0 109.76 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -99.51 -17.5 17.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.44 -0.787 . . . . 0.0 110.327 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -79.53 -25.27 41.74 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.337 -0.852 . . . . 0.0 109.969 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -43.35 -32.85 0.9 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.417 -0.802 . . . . 0.0 111.455 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 0.9 OUTLIER -73.93 -34.01 64.17 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.174 -0.954 . . . . 0.0 110.444 -179.441 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.527 ' HA ' ' NE1' ' A' ' 672' ' ' TRP . 1.4 mp -71.43 -28.17 63.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.269 -0.894 . . . . 0.0 109.334 178.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.41 ' HA ' ' HE3' ' A' ' 670' ' ' TRP . 0.1 OUTLIER -74.17 -15.42 61.02 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.47 -0.768 . . . . 0.0 111.32 -179.443 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 28.4 t -79.58 -28.39 41.11 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.892 -1.13 . . . . 0.0 111.674 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.527 ' NE1' ' HA ' ' A' ' 669' ' ' LEU . 4.9 p-90 -112.29 -29.2 7.63 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.598 -1.314 . . . . 0.0 110.031 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.518 ' CD2' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.54 42.66 1.09 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.256 -0.903 . . . . 0.0 109.549 179.209 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -81.54 86.77 6.3 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.746 -0.596 . . . . 0.0 110.483 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.774 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.5 mm -85.61 -22.05 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.484 -0.76 . . . . 0.0 110.701 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.474 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 35.3 p -49.77 -33.41 16.26 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.85 -1.157 . . . . 0.0 109.058 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -23.15 66.65 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 122.31 1.052 . . . . 0.0 108.596 178.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.774 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.263 1.0 OUTLIER -85.91 -43.89 12.85 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 122.237 1.018 . . . . 0.0 109.462 179.338 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.715 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.66 -22.46 54.01 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.543 -177.559 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.474 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.5 t90 -60.71 -25.41 66.41 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.199 -0.938 . . . . 0.0 109.936 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.505 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.6 OUTLIER -78.03 -24.91 47.67 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.507 -0.745 . . . . 0.0 110.141 179.676 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.683 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -108.74 -69.91 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 CA-C-O 121.654 0.74 . . . . 0.0 109.645 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt . . . . . 0 C--N 1.295 -1.783 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.209 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.142 0.496 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -109.03 74.13 0.89 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.36 -0.837 . . . . 0.0 110.222 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . 0.735 ' HB2' ' HB2' ' A' ' 662' ' ' ALA . 4.9 m-20 -62.58 132.32 52.0 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.36 -0.837 . . . . 0.0 110.185 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 37.4 mt -82.73 -18.25 41.47 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.452 -0.78 . . . . 0.0 110.392 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 4.7 mt -103.05 -2.71 27.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.503 -0.748 . . . . 0.0 110.766 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . 0.735 ' HB2' ' HB2' ' A' ' 659' ' ' ASP . . . -63.17 88.34 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.64 -0.663 . . . . 0.0 109.861 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 10.5 mt -50.29 -26.1 4.44 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.649 -0.657 . . . . 0.0 110.625 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . 0.402 ' OD2' ' HB1' ' A' ' 662' ' ' ALA . 3.5 p30 -64.24 -30.07 71.14 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.493 -0.754 . . . . 0.0 109.832 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -92.64 -17.72 23.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.392 -0.817 . . . . 0.0 110.541 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 32.5 m95 -65.48 -25.02 67.3 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.244 -0.91 . . . . 0.0 110.044 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -43.29 -33.03 0.89 Allowed 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.397 -0.815 . . . . 0.0 111.315 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . 0.407 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 5.0 m -73.79 -35.17 64.9 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.149 -0.969 . . . . 0.0 110.432 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.611 HD23 ' CZ2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -70.94 -26.25 63.1 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.212 -0.93 . . . . 0.0 109.294 178.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 34.5 m95 -75.62 -15.23 60.36 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.427 -0.795 . . . . 0.0 111.363 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 15.3 t -80.15 -28.94 38.76 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.797 -1.19 . . . . 0.0 111.713 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.611 ' CZ2' HD23 ' A' ' 669' ' ' LEU . 5.1 p-90 -112.24 -28.97 7.73 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.669 -1.269 . . . . 0.0 110.276 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.518 ' CD2' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.52 42.57 1.09 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.298 -0.876 . . . . 0.0 109.553 179.367 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -79.57 95.26 5.82 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-O 121.294 0.569 . . . . 0.0 110.527 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.769 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.3 mm -85.59 -21.82 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.314 -0.866 . . . . 0.0 110.778 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 40.5 p -49.81 -33.62 17.15 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.906 -1.121 . . . . 0.0 109.022 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -23.32 66.78 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 122.26 1.029 . . . . 0.0 108.546 178.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.769 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.261 1.0 OUTLIER -85.71 -44.01 12.91 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 122.318 1.056 . . . . 0.0 109.45 179.431 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.726 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.5 -22.42 54.49 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.601 -177.58 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.47 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.5 t90 -60.73 -25.39 66.42 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.204 -0.935 . . . . 0.0 109.911 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.502 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.6 OUTLIER -78.21 -24.66 46.96 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.736 0.779 . . . . 0.0 110.158 179.69 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.685 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -109.34 -68.57 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 CA-C-O 121.713 0.768 . . . . 0.0 109.697 179.791 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.295 -1.796 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.13 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.217 0.532 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -135.59 40.97 2.77 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.325 -0.86 . . . . 0.0 110.183 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . 0.819 ' HB2' ' HB2' ' A' ' 662' ' ' ALA . 71.3 m-20 -95.42 129.75 42.47 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.298 -0.876 . . . . 0.0 110.242 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 60.0 mt -79.86 -16.95 54.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.374 -0.829 . . . . 0.0 110.331 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 4.6 mt -103.28 -2.02 27.84 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.454 -0.779 . . . . 0.0 110.727 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . 0.819 ' HB2' ' HB2' ' A' ' 659' ' ' ASP . . . -61.34 88.28 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.432 0.634 . . . . 0.0 110.002 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 75.6 mt -50.39 -25.84 4.32 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.689 -0.632 . . . . 0.0 110.66 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . 0.525 ' OD2' ' HB1' ' A' ' 662' ' ' ALA . 3.2 p30 -60.84 -28.07 68.55 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.426 -0.796 . . . . 0.0 109.994 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -97.41 -17.45 19.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.496 -0.752 . . . . 0.0 110.541 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -67.7 -25.65 65.78 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.196 -0.94 . . . . 0.0 109.977 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -43.2 -33.02 0.84 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.328 -0.857 . . . . 0.0 111.36 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 2.2 m -73.82 -34.15 64.45 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.142 -0.974 . . . . 0.0 110.483 -179.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.645 HD23 ' CZ2' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -71.18 -25.39 62.51 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.224 -0.923 . . . . 0.0 109.27 178.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 53.5 m95 -77.29 -15.12 59.58 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.411 -0.806 . . . . 0.0 111.442 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.37 -29.29 37.88 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.756 -1.215 . . . . 0.0 111.821 -178.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.645 ' CZ2' HD23 ' A' ' 669' ' ' LEU . 12.9 p-90 -112.12 -31.86 6.74 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.776 -1.202 . . . . 0.0 110.284 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.509 ' CD1' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.38 42.73 1.08 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.338 -0.851 . . . . 0.0 109.814 179.665 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . 0.546 ' OD1' HG22 ' A' ' 676' ' ' THR . 1.7 t0 -85.19 103.86 14.54 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-O 121.29 0.567 . . . . 0.0 110.128 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.768 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 49.6 mm -85.47 -20.86 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.366 -0.834 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.546 HG22 ' OD1' ' A' ' 674' ' ' ASP . 8.8 t -49.85 -35.31 22.72 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.837 -1.164 . . . . 0.0 108.955 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . 0.451 ' N ' HG23 ' A' ' 676' ' ' THR . 0.2 OUTLIER -61.27 -23.7 65.86 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 122.332 1.063 . . . . 0.0 108.677 178.042 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.768 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.262 1.0 OUTLIER -85.42 -44.35 12.83 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-O 122.261 1.029 . . . . 0.0 109.431 179.394 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.713 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.12 -22.58 55.34 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.565 -177.565 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.453 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -60.81 -25.12 66.35 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.21 -0.931 . . . . 0.0 109.898 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.496 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.7 OUTLIER -78.69 -25.14 44.73 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.458 -0.776 . . . . 0.0 110.099 179.755 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.687 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -108.62 -69.48 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 CA-C-O 121.621 0.725 . . . . 0.0 109.63 179.828 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 7.1 mttt . . . . . 0 C--N 1.294 -1.812 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.173 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.21 0.529 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 3.4 pptp? -164.0 116.2 1.38 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.385 -0.822 . . . . 0.0 110.224 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . 0.89 ' HB2' ' HB2' ' A' ' 662' ' ' ALA . 3.4 m-20 -102.53 130.11 49.27 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.344 -0.848 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.47 ' H ' HD23 ' A' ' 660' ' ' LEU . 0.6 OUTLIER -71.72 -16.88 62.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.361 -0.837 . . . . 0.0 110.494 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 4.5 mt -103.02 -1.98 28.35 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.412 -0.805 . . . . 0.0 110.705 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . 0.89 ' HB2' ' HB2' ' A' ' 659' ' ' ASP . . . -60.65 89.9 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.662 -0.649 . . . . 0.0 109.819 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 7.8 mt -50.18 -25.91 4.07 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.758 -0.589 . . . . 0.0 110.69 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.58 -23.17 65.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.359 -0.838 . . . . 0.0 109.977 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -99.5 -17.61 17.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.436 -0.79 . . . . 0.0 110.408 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -69.19 -24.89 64.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.299 -0.876 . . . . 0.0 110.031 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -43.32 -32.61 0.84 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.318 -0.864 . . . . 0.0 111.332 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . 0.404 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 0.3 OUTLIER -73.99 -33.1 63.7 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.098 -1.001 . . . . 0.0 110.442 -179.454 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.515 ' HA ' ' NE1' ' A' ' 672' ' ' TRP . 1.6 mp -71.6 -25.71 62.29 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.258 -0.901 . . . . 0.0 109.316 179.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 4.9 m95 -76.98 -14.83 59.8 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.448 -0.783 . . . . 0.0 111.496 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.2 m -80.95 -29.25 35.44 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.861 -1.149 . . . . 0.0 111.871 -178.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.515 ' NE1' ' HA ' ' A' ' 669' ' ' LEU . 17.0 p-90 -111.96 -27.03 8.59 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.675 -1.266 . . . . 0.0 110.436 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.505 ' CD1' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.31 42.71 1.08 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.294 -0.879 . . . . 0.0 109.869 179.736 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -88.37 105.19 17.42 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-O 121.419 0.628 . . . . 0.0 110.085 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.757 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.8 mm -85.36 -22.46 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.253 -0.904 . . . . 0.0 110.943 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.484 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 28.6 p -49.71 -33.47 16.06 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.923 -1.111 . . . . 0.0 108.86 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.56 -24.76 67.7 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 122.397 1.094 . . . . 0.0 108.655 178.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.757 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.261 1.0 OUTLIER -83.63 -44.59 14.4 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.273 1.035 . . . . 0.0 109.512 179.466 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.729 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -75.31 -24.08 57.4 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.311 -177.805 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.484 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.5 t90 -62.78 -23.75 67.39 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.052 -1.03 . . . . 0.0 109.388 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -87.75 -32.74 18.97 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.538 0.685 . . . . 0.0 110.106 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.48 HG23 ' O ' ' A' ' 678' ' ' TRP . 1.1 pp -86.28 -23.67 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.5 -0.75 . . . . 0.0 109.887 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . 0.456 ' N ' HG13 ' A' ' 682' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.292 -1.894 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.436 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.213 0.53 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 4.5 tttt 52.91 80.89 0.09 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.318 -0.864 . . . . 0.0 110.391 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . 0.86 ' HB2' ' HB2' ' A' ' 662' ' ' ALA . 33.3 m-20 -102.26 129.85 48.78 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.352 -0.843 . . . . 0.0 110.267 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 78.7 mt -73.61 -16.7 61.23 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.42 -0.8 . . . . 0.0 110.166 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 4.1 mt -102.54 -1.52 30.31 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.46 -0.775 . . . . 0.0 110.602 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . 0.86 ' HB2' ' HB2' ' A' ' 659' ' ' ASP . . . -60.46 91.04 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.466 0.65 . . . . 0.0 109.752 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 2.9 mt -49.9 -26.19 3.89 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.807 -0.558 . . . . 0.0 110.722 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.4 -22.76 65.29 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.448 -0.782 . . . . 0.0 109.857 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -99.55 -17.36 17.9 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.443 -0.786 . . . . 0.0 110.365 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -74.65 -25.15 59.02 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.324 -0.86 . . . . 0.0 109.963 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -43.45 -32.94 0.97 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.388 -0.82 . . . . 0.0 111.344 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 8.0 t -73.88 -33.8 64.2 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.131 -0.981 . . . . 0.0 110.491 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.524 ' HA ' ' NE1' ' A' ' 672' ' ' TRP . 1.9 mp -72.18 -26.32 62.02 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.255 -0.903 . . . . 0.0 109.347 179.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 14.0 m95 -76.75 -14.78 59.9 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.379 -0.826 . . . . 0.0 111.493 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.74 -28.89 36.39 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.867 -1.145 . . . . 0.0 111.849 -178.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.524 ' NE1' ' HA ' ' A' ' 669' ' ' LEU . 19.0 p-90 -111.93 -26.14 9.06 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.714 -1.241 . . . . 0.0 110.374 179.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.5 ' CD1' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.36 42.74 1.08 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.27 -0.893 . . . . 0.0 109.754 179.745 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -89.2 105.08 17.56 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-O 121.363 0.601 . . . . 0.0 110.16 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.764 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.8 mm -85.53 -21.88 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.389 -0.819 . . . . 0.0 110.911 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.475 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 4.5 p -49.83 -33.31 16.42 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.865 -1.147 . . . . 0.0 108.943 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -23.47 67.11 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 122.403 1.097 . . . . 0.0 108.596 177.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.764 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.263 1.0 OUTLIER -85.56 -43.73 13.26 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 122.304 1.049 . . . . 0.0 109.503 179.452 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.727 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.61 -22.6 53.96 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.505 -177.513 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.475 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -61.23 -24.86 66.66 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.193 -0.942 . . . . 0.0 109.921 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.495 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.7 OUTLIER -79.1 -25.74 43.01 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.379 -0.826 . . . . 0.0 110.053 179.671 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.672 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -108.12 -69.55 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 CA-C-O 121.616 0.722 . . . . 0.0 109.562 179.786 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt . . . . . 0 C--N 1.294 -1.812 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.129 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.165 0.507 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -110.41 45.36 1.13 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.391 -0.818 . . . . 0.0 110.237 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -83.52 151.7 25.27 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.421 -0.799 . . . . 0.0 110.212 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 23.9 mt -60.16 -20.69 59.66 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.425 -0.797 . . . . 0.0 110.292 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 4.5 mt -105.37 -0.61 25.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.519 -0.738 . . . . 0.0 110.688 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.33 90.95 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.456 0.646 . . . . 0.0 109.86 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 5.2 mt -49.87 -26.3 3.94 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.838 -0.538 . . . . 0.0 110.622 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -61.9 -22.62 65.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.369 -0.832 . . . . 0.0 109.785 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.39 -17.47 17.97 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.444 -0.785 . . . . 0.0 110.324 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -77.16 -27.47 53.77 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.372 -0.83 . . . . 0.0 109.918 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -43.38 -34.69 1.32 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.489 -0.757 . . . . 0.0 111.145 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . 0.45 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 45.8 m -73.14 -38.84 66.12 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.023 -1.048 . . . . 0.0 110.325 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.618 HD23 ' CZ2' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -73.94 -30.26 62.46 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.236 -0.915 . . . . 0.0 109.137 178.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.411 ' CH2' ' OD1' ' A' ' 674' ' ' ASP . 10.5 t-105 -73.83 -13.71 60.97 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.473 -0.767 . . . . 0.0 111.138 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 13.6 t -82.84 -29.34 29.52 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.769 -1.207 . . . . 0.0 112.126 -178.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.618 ' CZ2' HD23 ' A' ' 669' ' ' LEU . 29.1 p-90 -111.49 -18.96 12.72 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.554 -1.341 . . . . 0.0 110.898 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.501 ' CD1' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.26 42.94 1.08 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.127 -0.983 . . . . 0.0 109.826 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . 0.507 ' OD1' HG22 ' A' ' 676' ' ' THR . 38.1 t70 -95.07 92.09 6.66 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.256 0.551 . . . . 0.0 110.154 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.819 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 2.2 mp -85.53 -15.58 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.337 -0.852 . . . . 0.0 110.738 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.611 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 8.9 t -53.52 -34.52 58.44 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.469 -1.395 . . . . 0.0 108.106 178.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . 0.426 ' N ' HG23 ' A' ' 676' ' ' THR . 0.0 OUTLIER -60.63 -23.35 64.68 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 122.552 1.168 . . . . 0.0 108.559 177.628 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.819 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.283 0.6 OUTLIER -85.1 -39.72 17.61 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-O 122.432 1.111 . . . . 0.0 109.918 -179.984 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.604 HD23 ' N ' ' A' ' 679' ' ' LEU . 0.2 OUTLIER -87.81 -19.84 26.91 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.199 -177.292 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.611 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.4 t90 -64.72 -26.27 68.29 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.349 -0.845 . . . . 0.0 109.36 178.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.402 ' HB3' HD13 ' A' ' 682' ' ' ILE . 0.5 OUTLIER -78.84 -35.71 43.56 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.746 0.784 . . . . 0.0 110.019 179.785 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.698 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -96.3 -67.88 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 CA-C-O 121.628 0.728 . . . . 0.0 109.356 179.631 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.295 -1.784 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.149 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.283 0.563 . . . . 0.0 110.179 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 52.11 66.91 1.07 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.294 -0.879 . . . . 0.0 110.539 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -102.49 151.05 22.76 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.318 -0.864 . . . . 0.0 110.262 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 16.8 mt -61.69 -21.52 64.53 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.31 -0.869 . . . . 0.0 110.25 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 4.7 mt -103.94 -1.8 27.07 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.522 -0.737 . . . . 0.0 110.689 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.22 88.0 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.497 0.665 . . . . 0.0 109.919 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 22.5 mt -50.37 -26.3 4.79 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.677 -0.639 . . . . 0.0 110.611 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -66.83 -25.92 66.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.418 -0.801 . . . . 0.0 109.857 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.07 -17.65 21.68 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.405 -0.809 . . . . 0.0 110.31 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.475 ' CE3' HD13 ' A' ' 669' ' ' LEU . 33.6 m95 -66.31 -24.27 66.51 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.357 -0.84 . . . . 0.0 110.068 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -43.29 -32.66 0.83 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.394 -0.816 . . . . 0.0 111.334 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . 0.406 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 6.1 m -74.16 -32.67 63.21 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.126 -0.984 . . . . 0.0 110.301 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.65 HD23 ' CZ2' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -71.69 -26.44 62.51 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.144 -0.973 . . . . 0.0 109.243 179.039 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -76.27 -14.63 60.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.361 -0.837 . . . . 0.0 111.424 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 18.4 m -81.21 -29.38 34.54 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.832 -1.168 . . . . 0.0 111.985 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.65 ' CZ2' HD23 ' A' ' 669' ' ' LEU . 17.9 p-90 -112.07 -24.96 9.6 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.705 -1.247 . . . . 0.0 110.598 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.495 ' CD1' ' CZ3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -97.35 42.88 1.08 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.172 -0.955 . . . . 0.0 109.924 179.717 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -88.98 105.51 17.83 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 121.342 0.591 . . . . 0.0 110.047 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.757 ' O ' ' HB2' ' A' ' 678' ' ' TRP . 50.1 mm -85.49 -20.94 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.316 -0.865 . . . . 0.0 111.031 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 680' ' ' TRP . 9.0 t -49.79 -35.47 22.74 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.871 -1.143 . . . . 0.0 108.879 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . 0.453 ' N ' HG23 ' A' ' 676' ' ' THR . 0.0 OUTLIER -61.17 -23.78 65.82 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 122.35 1.072 . . . . 0.0 108.685 178.1 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.757 ' HB2' ' O ' ' A' ' 675' ' ' ILE 0.263 1.0 OUTLIER -85.46 -43.99 13.11 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 122.252 1.025 . . . . 0.0 109.467 179.349 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.728 ' CD2' ' N ' ' A' ' 679' ' ' LEU . 0.3 OUTLIER -76.43 -22.51 54.58 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.548 -177.615 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.457 ' HB2' ' O ' ' A' ' 676' ' ' THR . 1.6 t90 -60.6 -25.51 66.3 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.192 -0.942 . . . . 0.0 109.891 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.511 ' C ' HD13 ' A' ' 682' ' ' ILE . 0.4 OUTLIER -77.62 -24.59 49.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.428 -0.795 . . . . 0.0 110.101 179.778 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.692 ' N ' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -109.0 -70.18 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 CA-C-O 121.631 0.729 . . . . 0.0 109.63 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 10.5 mttt . . . . . 0 C--N 1.294 -1.831 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.171 -179.978 . . . . . . . . 0 0 . 1 stop_ save_